I: pbuilder: network access will be disabled during build I: Current time: Sun Sep 28 01:32:25 +14 2025 I: pbuilder-time-stamp: 1758972745 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-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/1509364/tmp/hooks/D01_modify_environment starting debug: Running on ionos5-amd64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Sep 27 11:32 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/1509364/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/1509364/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") BASH_VERSION='5.2.32(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=amd64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DIRSTACK=() DISTRIBUTION=unstable EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=x86_64 HOST_ARCH=amd64 IFS=' ' INVOCATION_ID=3a704e077c844c17a721281dc8b295f0 LANG=C LANGUAGE=et_EE:et LC_ALL=C MACHTYPE=x86_64-pc-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=1509364 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.7wUZaZkm/pbuilderrc_5Vk9 --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.7wUZaZkm/b2 --logfile b2/build.log meep_1.25.0-4.dsc' SUDO_GID=110 SUDO_UID=105 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://213.165.73.152:3128 I: uname -a Linux i-capture-the-hostname 6.9.7+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.9.7-1~bpo12+1 (2024-07-03) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/1509364/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: amd64 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 ... 19730 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-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{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-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{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-openmpi-103-1t64{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libopenjp2-7{a} libopenmpi3t64{a} libp11-kit-dev{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpsm-infinipath1{a} libpsm2-2{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} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-appdirs{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-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-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} python3.12-tk{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile shared-mime-info wget xdg-user-dirs 0 packages upgraded, 266 newly installed, 0 to remove and 0 not upgraded. Need to get 215 MB of archives. After unpacking 925 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main amd64 libpython3.12-minimal amd64 3.12.5-4 [812 kB] Get: 2 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.6.2-1 [103 kB] Get: 3 http://deb.debian.org/debian unstable/main amd64 python3.12-minimal amd64 3.12.5-4 [2168 kB] Get: 4 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.12.5-1 [26.7 kB] Get: 5 http://deb.debian.org/debian unstable/main amd64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main amd64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 9 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.1-1 [22.9 kB] Get: 10 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 11 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-3 [8952 B] Get: 12 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 13 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 14 http://deb.debian.org/debian unstable/main amd64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.3 [82.7 kB] Get: 16 http://deb.debian.org/debian unstable/main amd64 libnsl2 amd64 1.3.0-3+b2 [40.3 kB] Get: 17 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-5 [169 kB] Get: 19 http://deb.debian.org/debian unstable/main amd64 libpython3.12-stdlib amd64 3.12.5-4 [1960 kB] Get: 20 http://deb.debian.org/debian unstable/main amd64 python3.12 amd64 3.12.5-4 [667 kB] Get: 21 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.12.5-1 [9588 B] Get: 22 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.12.5-1 [27.6 kB] Get: 23 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.45-3 [105 kB] Get: 26 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.45-3 [42.9 kB] Get: 27 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.22.5-2 [200 kB] Get: 28 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b1 [68.8 kB] Get: 29 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-5 [1181 kB] Get: 30 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.2-7 [96.8 kB] Get: 31 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.7-2 [38.0 kB] Get: 32 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.12.1-3 [1414 kB] Get: 33 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 34 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian unstable/main amd64 libtcl8.6 amd64 8.6.14+dfsg-1 [1034 kB] Get: 39 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b4 [300 kB] Get: 40 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.43-5 [278 kB] Get: 41 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.2+dfsg-1+b4 [439 kB] Get: 42 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 43 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 44 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-1.1 [317 kB] Get: 45 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-1.1 [388 kB] Get: 46 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.9-1+b1 [18.1 kB] Get: 47 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.2-3+b1 [24.3 kB] Get: 48 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2 [144 kB] Get: 49 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.7-1 [328 kB] Get: 50 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.7-1+b1 [799 kB] Get: 51 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b1 [27.9 kB] Get: 52 http://deb.debian.org/debian unstable/main amd64 libxft2 amd64 2.3.6-1+b1 [54.2 kB] Get: 53 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b1 [52.9 kB] Get: 54 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+23.1 [216 kB] Get: 55 http://deb.debian.org/debian unstable/main amd64 libxss1 amd64 1:1.2.3-1+b1 [17.0 kB] Get: 56 http://deb.debian.org/debian unstable/main amd64 libtk8.6 amd64 8.6.14-1 [784 kB] Get: 57 http://deb.debian.org/debian unstable/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-7 [586 kB] Get: 58 http://deb.debian.org/debian unstable/main amd64 blt amd64 2.5.3+dfsg-7 [6024 B] Get: 59 http://deb.debian.org/debian unstable/main amd64 chrpath amd64 0.16-2+b1 [17.1 kB] Get: 60 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.20 [89.7 kB] Get: 61 http://deb.debian.org/debian unstable/main amd64 libtool all 2.4.7-7 [517 kB] Get: 62 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 65 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 66 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.191-2 [188 kB] Get: 67 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 68 http://deb.debian.org/debian unstable/main amd64 libicu72 amd64 72.1-5 [9396 kB] Get: 69 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg-3+b1 [671 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.22.5-2 [1601 kB] Get: 71 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 72 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 73 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.20 [915 kB] Get: 74 http://deb.debian.org/debian unstable/main amd64 diffstat amd64 1.66-1 [34.0 kB] Get: 75 http://deb.debian.org/debian unstable/main amd64 ed amd64 1.20.2-2 [60.8 kB] Get: 76 http://deb.debian.org/debian unstable/main amd64 fonts-lyx all 2.4.1-2 [189 kB] Get: 77 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 14.2.0-3 [837 kB] Get: 78 http://deb.debian.org/debian unstable/main amd64 libgfortran-14-dev amd64 14.2.0-3 [880 kB] Get: 79 http://deb.debian.org/debian unstable/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-3 [11.7 MB] Get: 80 http://deb.debian.org/debian unstable/main amd64 gfortran-14 amd64 14.2.0-3 [11.8 kB] Get: 81 http://deb.debian.org/debian unstable/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.1.0-2 [1284 B] Get: 82 http://deb.debian.org/debian unstable/main amd64 gfortran amd64 4:14.1.0-2 [1436 B] Get: 83 http://deb.debian.org/debian unstable/main amd64 libgc1 amd64 1:8.2.6-2 [245 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 guile-3.0-libs amd64 3.0.10-1 [6872 kB] Get: 85 http://deb.debian.org/debian unstable/main amd64 guile-3.0 amd64 3.0.10-1 [20.8 kB] Get: 86 http://deb.debian.org/debian unstable/main amd64 libncurses6 amd64 6.5-2 [104 kB] Get: 87 http://deb.debian.org/debian unstable/main amd64 libncurses-dev amd64 6.5-2 [349 kB] Get: 88 http://deb.debian.org/debian unstable/main amd64 libreadline-dev amd64 8.2-5 [153 kB] Get: 89 http://deb.debian.org/debian unstable/main amd64 libltdl7 amd64 2.4.7-7+b1 [393 kB] Get: 90 http://deb.debian.org/debian unstable/main amd64 libltdl-dev amd64 2.4.7-7+b1 [164 kB] Get: 91 http://deb.debian.org/debian unstable/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-2+b1 [329 kB] Get: 92 http://deb.debian.org/debian unstable/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-2+b1 [640 kB] Get: 93 http://deb.debian.org/debian unstable/main amd64 libgc-dev amd64 1:8.2.6-2 [413 kB] Get: 94 http://deb.debian.org/debian unstable/main amd64 libpkgconf3 amd64 1.8.1-3 [36.2 kB] Get: 95 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 1.8.1-3 [29.9 kB] Get: 96 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-3 [26.1 kB] Get: 97 http://deb.debian.org/debian unstable/main amd64 guile-3.0-dev amd64 3.0.10-1 [149 kB] Get: 98 http://deb.debian.org/debian unstable/main amd64 hdf5-helpers amd64 1.10.10+repack-4 [23.5 kB] Get: 99 http://deb.debian.org/debian unstable/main amd64 libnl-3-200 amd64 3.7.0-0.3 [59.0 kB] Get: 100 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-200 amd64 3.7.0-0.3 [181 kB] Get: 101 http://deb.debian.org/debian unstable/main amd64 libibverbs1 amd64 52.0-2 [61.6 kB] Get: 102 http://deb.debian.org/debian unstable/main amd64 ibverbs-providers amd64 52.0-2 [343 kB] Get: 103 http://deb.debian.org/debian unstable/main amd64 libaec0 amd64 1.1.3-1 [23.4 kB] Get: 104 http://deb.debian.org/debian unstable/main amd64 libsz2 amd64 1.1.3-1 [7740 B] Get: 105 http://deb.debian.org/debian unstable/main amd64 libaec-dev amd64 1.1.3-1 [21.0 kB] Get: 106 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20240517-1 [93.3 kB] Get: 107 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.8.12-3.1+b2 [7346 kB] Get: 108 http://deb.debian.org/debian unstable/main amd64 libllvm17t64 amd64 1:17.0.6-15 [23.6 MB] Get: 109 http://deb.debian.org/debian unstable/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b1 [13.0 MB] Get: 110 http://deb.debian.org/debian unstable/main amd64 libdrm-common all 2.4.122-1 [7992 B] Get: 111 http://deb.debian.org/debian unstable/main amd64 libdrm2 amd64 2.4.122-1 [38.7 kB] Get: 112 http://deb.debian.org/debian unstable/main amd64 libdrm-amdgpu1 amd64 2.4.122-1 [22.2 kB] Get: 113 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.18-1 [21.9 kB] Get: 114 http://deb.debian.org/debian unstable/main amd64 libhsakmt1 amd64 5.7.0-1 [60.7 kB] Get: 115 http://deb.debian.org/debian unstable/main amd64 libhsa-runtime64-1 amd64 5.7.1-3 [510 kB] Get: 116 http://deb.debian.org/debian unstable/main amd64 libamdhip64-5 amd64 5.7.1-4 [8770 kB] Get: 117 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.0-3 [148 kB] Get: 118 http://deb.debian.org/debian unstable/main amd64 libblas-dev amd64 3.12.0-3 [159 kB] Get: 119 http://deb.debian.org/debian unstable/main amd64 libbrotli-dev amd64 1.1.0-2+b4 [313 kB] Get: 120 http://deb.debian.org/debian unstable/main amd64 libctl7t64 amd64 4.5.1-2.1 [113 kB] Get: 121 http://deb.debian.org/debian unstable/main amd64 libctl-dev amd64 4.5.1-2.1 [106 kB] Get: 122 http://deb.debian.org/debian unstable/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-7 [19.6 kB] Get: 123 http://deb.debian.org/debian unstable/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-7 [57.2 kB] Get: 124 http://deb.debian.org/debian unstable/main amd64 libldap-2.5-0 amd64 2.5.18+dfsg-3 [187 kB] Get: 125 http://deb.debian.org/debian unstable/main amd64 libnghttp2-14 amd64 1.62.1-2 [74.9 kB] Get: 126 http://deb.debian.org/debian unstable/main amd64 libpsl5t64 amd64 0.21.2-1.1 [56.8 kB] Get: 127 http://deb.debian.org/debian unstable/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b4 [58.5 kB] Get: 128 http://deb.debian.org/debian unstable/main amd64 libssh2-1t64 amd64 1.11.0-7 [216 kB] Get: 129 http://deb.debian.org/debian unstable/main amd64 libcurl4t64 amd64 8.9.1-2 [463 kB] Get: 130 http://deb.debian.org/debian unstable/main amd64 libidn2-dev amd64 2.3.7-2 [123 kB] Get: 131 http://deb.debian.org/debian unstable/main amd64 libnghttp2-dev amd64 1.62.1-2 [115 kB] Get: 132 http://deb.debian.org/debian unstable/main amd64 libpsl-dev amd64 0.21.2-1.1 [77.4 kB] Get: 133 http://deb.debian.org/debian unstable/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10 [181 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 libunbound8 amd64 1.20.0-1+b1 [583 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 libgnutls-dane0t64 amd64 3.8.6-2 [439 kB] Get: 136 http://deb.debian.org/debian unstable/main amd64 libgnutls-openssl27t64 amd64 3.8.6-2 [439 kB] Get: 137 http://deb.debian.org/debian unstable/main amd64 libp11-kit-dev amd64 0.25.5-2 [208 kB] Get: 138 http://deb.debian.org/debian unstable/main amd64 libtasn1-6-dev amd64 4.19.0-3+b2 [98.0 kB] Get: 139 http://deb.debian.org/debian unstable/main amd64 nettle-dev amd64 3.10-1 [1316 kB] Get: 140 http://deb.debian.org/debian unstable/main amd64 libgnutls28-dev amd64 3.8.6-2 [1381 kB] Get: 141 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1 [919 kB] Get: 142 http://deb.debian.org/debian unstable/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b4 [67.7 kB] Get: 143 http://deb.debian.org/debian unstable/main amd64 libssl-dev amd64 3.3.1-7 [2741 kB] Get: 144 http://deb.debian.org/debian unstable/main amd64 libssh2-1-dev amd64 1.11.0-7 [357 kB] Get: 145 http://deb.debian.org/debian unstable/main amd64 libzstd-dev amd64 1.5.6+dfsg-1 [368 kB] Get: 146 http://deb.debian.org/debian unstable/main amd64 libcurl4-openssl-dev amd64 8.9.1-2 [573 kB] Get: 147 http://deb.debian.org/debian unstable/main amd64 libdeflate0 amd64 1.21-1 [47.3 kB] Get: 148 http://deb.debian.org/debian unstable/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10 [131 kB] Get: 149 http://deb.debian.org/debian unstable/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [53.9 kB] Get: 150 http://deb.debian.org/debian unstable/main amd64 libexpat1-dev amd64 2.6.2-1 [155 kB] Get: 151 http://deb.debian.org/debian unstable/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 152 http://deb.debian.org/debian unstable/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 153 http://deb.debian.org/debian unstable/main amd64 librdmacm1t64 amd64 52.0-2 [70.2 kB] Get: 154 http://deb.debian.org/debian unstable/main amd64 libfabric1 amd64 1.17.0-3+b1 [628 kB] Get: 155 http://deb.debian.org/debian unstable/main amd64 libfftw3-double3 amd64 3.3.10-1+b3 [780 kB] Get: 156 http://deb.debian.org/debian unstable/main amd64 libfftw3-long3 amd64 3.3.10-1+b3 [344 kB] Get: 157 http://deb.debian.org/debian unstable/main amd64 libfftw3-quad3 amd64 3.3.10-1+b3 [607 kB] Get: 158 http://deb.debian.org/debian unstable/main amd64 libfftw3-single3 amd64 3.3.10-1+b3 [806 kB] Get: 159 http://deb.debian.org/debian unstable/main amd64 libfftw3-bin amd64 3.3.10-1+b3 [52.4 kB] Get: 160 http://deb.debian.org/debian unstable/main amd64 libfftw3-dev amd64 3.3.10-1+b3 [2124 kB] Get: 161 http://deb.debian.org/debian unstable/main amd64 libfribidi0 amd64 1.0.15-1 [71.8 kB] Get: 162 http://deb.debian.org/debian unstable/main amd64 libgdsii0 amd64 0.2+ds.1-1+b1 [31.7 kB] Get: 163 http://deb.debian.org/debian unstable/main amd64 libgdsii-dev amd64 0.2+ds.1-1+b1 [35.8 kB] Get: 164 http://deb.debian.org/debian unstable/main amd64 libglib2.0-0t64 amd64 2.81.2-1 [1497 kB] Get: 165 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.14-2 [74.9 kB] Get: 166 http://deb.debian.org/debian unstable/main amd64 libgslcblas0 amd64 2.8+dfsg-3 [116 kB] Get: 167 http://deb.debian.org/debian unstable/main amd64 libgsl28 amd64 2.8+dfsg-3 [994 kB] Get: 168 http://deb.debian.org/debian unstable/main amd64 libgsl-dev amd64 2.8+dfsg-3 [1223 kB] Get: 169 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 9.0.0-1 [474 kB] Get: 170 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.0-3 [2407 kB] Get: 171 http://deb.debian.org/debian unstable/main amd64 libharminv3 amd64 1.4.2-1 [18.0 kB] Get: 172 http://deb.debian.org/debian unstable/main amd64 libharminv-dev amd64 1.4.2-1 [15.8 kB] Get: 173 http://deb.debian.org/debian unstable/main amd64 libhdf5-103-1t64 amd64 1.10.10+repack-4 [1253 kB] Get: 174 http://deb.debian.org/debian unstable/main amd64 libhdf5-cpp-103-1t64 amd64 1.10.10+repack-4 [130 kB] Get: 175 http://deb.debian.org/debian unstable/main amd64 libhdf5-fortran-102t64 amd64 1.10.10+repack-4 [89.5 kB] Get: 176 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-100t64 amd64 1.10.10+repack-4 [63.9 kB] Get: 177 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-fortran-100t64 amd64 1.10.10+repack-4 [40.5 kB] Get: 178 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-cpp-100t64 amd64 1.10.10+repack-4 [21.4 kB] Get: 179 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo amd64 1:2.1.5-3 [167 kB] Get: 180 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3 [290 kB] Get: 181 http://deb.debian.org/debian unstable/main amd64 libjpeg-dev amd64 1:2.1.5-3 [71.9 kB] Get: 182 http://deb.debian.org/debian unstable/main amd64 libhdf5-dev amd64 1.10.10+repack-4 [2652 kB] Get: 183 http://deb.debian.org/debian unstable/main amd64 libhwloc15 amd64 2.11.0-2 [162 kB] Get: 184 http://deb.debian.org/debian unstable/main amd64 libmunge2 amd64 0.5.15-4 [19.8 kB] Get: 185 http://deb.debian.org/debian unstable/main amd64 libpciaccess0 amd64 0.17-3+b1 [51.9 kB] Get: 186 http://deb.debian.org/debian unstable/main amd64 libxnvctrl0 amd64 535.171.04-1 [13.8 kB] Get: 187 http://deb.debian.org/debian unstable/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b1 [40.3 kB] Get: 188 http://deb.debian.org/debian unstable/main amd64 libhwloc-plugins amd64 2.11.0-2 [17.9 kB] Get: 189 http://deb.debian.org/debian unstable/main amd64 libpmix2t64 amd64 5.0.3-2 [658 kB] Get: 190 http://deb.debian.org/debian unstable/main amd64 libibumad3 amd64 52.0-2 [27.7 kB] Get: 191 http://deb.debian.org/debian unstable/main amd64 libibmad5 amd64 52.0-2 [43.3 kB] Get: 192 http://deb.debian.org/debian unstable/main amd64 libucx0 amd64 1.17.0+ds-3 [1130 kB] Get: 193 http://deb.debian.org/debian unstable/main amd64 libopenmpi3t64 amd64 4.1.6-13.3 [2426 kB] Get: 194 http://deb.debian.org/debian unstable/main amd64 libhdf5-openmpi-103-1t64 amd64 1.10.10+repack-4 [1312 kB] Get: 195 http://deb.debian.org/debian unstable/main amd64 libimagequant0 amd64 2.18.0-1+b1 [35.3 kB] Get: 196 http://deb.debian.org/debian unstable/main amd64 libjbig0 amd64 2.1-6.1+b1 [32.0 kB] Get: 197 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 198 http://deb.debian.org/debian unstable/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 199 http://deb.debian.org/debian unstable/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 200 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 7.4.7-3 [158 kB] Get: 201 http://deb.debian.org/debian unstable/main amd64 liblapack-dev amd64 3.12.0-3 [4880 kB] Get: 202 http://deb.debian.org/debian unstable/main amd64 liblbfgsb0 amd64 3.0+dfsg.4-1+b1 [29.1 kB] Get: 203 http://deb.debian.org/debian unstable/main amd64 liblcms2-2 amd64 2.14-2+b1 [154 kB] Get: 204 http://deb.debian.org/debian unstable/main amd64 liblerc4 amd64 4.0.0+ds-4+b1 [171 kB] Get: 205 http://deb.debian.org/debian unstable/main amd64 liblzf1 amd64 3.6-4+b1 [10.4 kB] Get: 206 http://deb.debian.org/debian unstable/main amd64 libopenjp2-7 amd64 2.5.0-2+b3 [190 kB] Get: 207 http://deb.debian.org/debian unstable/main amd64 libpython3.12t64 amd64 3.12.5-4 [2149 kB] Get: 208 http://deb.debian.org/debian unstable/main amd64 libpython3.12-dev amd64 3.12.5-4 [5126 kB] Get: 209 http://deb.debian.org/debian unstable/main amd64 libpython3-dev amd64 3.12.5-1 [9820 B] Get: 210 http://deb.debian.org/debian unstable/main amd64 libqhull-r8.0 amd64 2020.2-6+b1 [245 kB] Get: 211 http://deb.debian.org/debian unstable/main amd64 libraqm0 amd64 0.10.1-1+b1 [14.2 kB] Get: 212 http://deb.debian.org/debian unstable/main amd64 libsharpyuv0 amd64 1.4.0-0.1 [113 kB] Get: 213 http://deb.debian.org/debian unstable/main amd64 libwebp7 amd64 1.4.0-0.1 [311 kB] Get: 214 http://deb.debian.org/debian unstable/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 215 http://deb.debian.org/debian unstable/main amd64 libwebpdemux2 amd64 1.4.0-0.1 [110 kB] Get: 216 http://deb.debian.org/debian unstable/main amd64 libwebpmux3 amd64 1.4.0-0.1 [123 kB] Get: 217 http://deb.debian.org/debian unstable/main amd64 libxslt1.1 amd64 1.1.35-1.1 [232 kB] Get: 218 http://deb.debian.org/debian unstable/main amd64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 219 http://deb.debian.org/debian unstable/main amd64 mpb amd64 1.11.1-6 [217 kB] Get: 220 http://deb.debian.org/debian unstable/main amd64 mpb-dev amd64 1.11.1-6 [8152 B] Get: 221 http://deb.debian.org/debian unstable/main amd64 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 222 http://deb.debian.org/debian unstable/main amd64 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 223 http://deb.debian.org/debian unstable/main amd64 python3-attr all 24.2.0-1 [68.4 kB] Get: 224 http://deb.debian.org/debian unstable/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 225 http://deb.debian.org/debian unstable/main amd64 python3-brotli amd64 1.1.0-2+b4 [309 kB] Get: 226 http://deb.debian.org/debian unstable/main amd64 python3-more-itertools all 10.3.0-1 [62.0 kB] Get: 227 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 228 http://deb.debian.org/debian unstable/main amd64 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 229 http://deb.debian.org/debian unstable/main amd64 python3-inflect all 7.3.1-1 [42.2 kB] Get: 230 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 231 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.functools all 4.0.2-1 [11.7 kB] Get: 232 http://deb.debian.org/debian unstable/main amd64 python3-pkg-resources all 73.0.1-1 [212 kB] Get: 233 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:1.26.4+ds-11 [4236 kB] Get: 234 http://deb.debian.org/debian unstable/main amd64 python3-contourpy amd64 1.2.1-1 [208 kB] Get: 235 http://deb.debian.org/debian unstable/main amd64 python3-cycler all 0.12.1-1 [9496 B] Get: 236 http://deb.debian.org/debian unstable/main amd64 python3-six all 1.16.0-7 [16.4 kB] Get: 237 http://deb.debian.org/debian unstable/main amd64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 238 http://deb.debian.org/debian unstable/main amd64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 239 http://deb.debian.org/debian unstable/main amd64 python3.12-dev amd64 3.12.5-4 [499 kB] Get: 240 http://deb.debian.org/debian unstable/main amd64 python3-dev amd64 3.12.5-1 [26.2 kB] Get: 241 http://deb.debian.org/debian unstable/main amd64 python3-scipy amd64 1.13.1-5 [16.7 MB] Get: 242 http://deb.debian.org/debian unstable/main amd64 python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 243 http://deb.debian.org/debian unstable/main amd64 python3-mpmath all 1.3.0-1 [419 kB] Get: 244 http://deb.debian.org/debian unstable/main amd64 python3-sympy all 1.13.2-1 [4147 kB] Get: 245 http://deb.debian.org/debian unstable/main amd64 python3-tz all 2024.1-2 [30.9 kB] Get: 246 http://deb.debian.org/debian unstable/main amd64 python3-fs all 2.4.16-4 [95.4 kB] Get: 247 http://deb.debian.org/debian unstable/main amd64 python3-lxml amd64 5.3.0-1 [1251 kB] Get: 248 http://deb.debian.org/debian unstable/main amd64 python3-lz4 amd64 4.0.2+dfsg-1+b4 [25.2 kB] Get: 249 http://deb.debian.org/debian unstable/main amd64 python3-unicodedata2 amd64 15.1.0+ds-1+b2 [298 kB] Get: 250 http://deb.debian.org/debian unstable/main amd64 unicode-data all 15.1.0-1 [8547 kB] Get: 251 http://deb.debian.org/debian unstable/main amd64 python3-fonttools amd64 4.46.0-1+b1 [1382 kB] Get: 252 http://deb.debian.org/debian unstable/main amd64 python3-h5py-serial amd64 3.11.0-5 [975 kB] Get: 253 http://deb.debian.org/debian unstable/main amd64 python3-h5py all 3.11.0-5 [14.7 kB] Get: 254 http://deb.debian.org/debian unstable/main amd64 python3-kiwisolver amd64 1.4.5-1+b1 [59.5 kB] Get: 255 http://deb.debian.org/debian unstable/main amd64 python3-pil amd64 10.4.0-1 [502 kB] Get: 256 http://deb.debian.org/debian unstable/main amd64 python3.12-tk amd64 3.12.5-4 [112 kB] Get: 257 http://deb.debian.org/debian unstable/main amd64 python3.13-tk amd64 3.13.0~rc1-4 [103 kB] Get: 258 http://deb.debian.org/debian unstable/main amd64 python3-tk amd64 3.12.5-3 [9412 B] Get: 259 http://deb.debian.org/debian unstable/main amd64 python3-pil.imagetk amd64 10.4.0-1 [79.4 kB] Get: 260 http://deb.debian.org/debian unstable/main amd64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 261 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 24.1-1 [45.8 kB] Get: 262 http://deb.debian.org/debian unstable/main amd64 python3-matplotlib amd64 3.8.3-3 [5560 kB] Get: 263 http://deb.debian.org/debian unstable/main amd64 python3-zipp all 3.20.0-1 [10.5 kB] Get: 264 http://deb.debian.org/debian unstable/main amd64 python3-setuptools all 73.0.1-1 [748 kB] Get: 265 http://deb.debian.org/debian unstable/main amd64 quilt all 0.68-1 [437 kB] Get: 266 http://deb.debian.org/debian unstable/main amd64 swig amd64 4.2.1-1 [1437 kB] Fetched 215 MB in 2s (102 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:amd64. (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 ... 19730 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.5-4_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.5-4) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.2-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.2-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.5-4_amd64.deb ... Unpacking python3.12-minimal (3.12.5-4) ... Setting up libpython3.12-minimal:amd64 (3.12.5-4) ... Setting up libexpat1:amd64 (2.6.2-1) ... Setting up python3.12-minimal (3.12.5-4) ... 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 ... 20050 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1_amd64.deb ... Unpacking python3-minimal (3.12.5-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:amd64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_amd64.deb ... Unpacking libkrb5support0:amd64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:amd64. Preparing to unpack .../05-libcom-err2_1.47.1-1_amd64.deb ... Unpacking libcom-err2:amd64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:amd64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_amd64.deb ... Unpacking libk5crypto3:amd64 (1.21.3-3) ... 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Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3 to /lib/x86_64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3.0.0 to /lib/x86_64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:amd64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:amd64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_amd64.deb ... Unpacking libnsl2:amd64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../14-libreadline8t64_8.2-5_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.5-4_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.5-4) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.5-4_amd64.deb ... Unpacking python3.12 (3.12.5-4) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.12.5-1) ... Setting up python3-minimal (3.12.5-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21122 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1_amd64.deb ... Unpacking python3 (3.12.5-1) ... Selecting previously unselected package sensible-utils. 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Setting up libkrb5-3:amd64 (1.21.3-3) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libssh2-1t64:amd64 (1.11.0-7) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:amd64 (2.8+dfsg-3) ... Setting up python-matplotlib-data (3.8.3-3) ... Setting up libgc-dev:amd64 (1:8.2.6-2) ... Setting up libtasn1-6-dev:amd64 (4.19.0-3+b2) ... Setting up libwebpmux3:amd64 (1.4.0-0.1) ... Setting up libgdsii0:amd64 (0.2+ds.1-1+b1) ... Setting up libdrm-common (2.4.122-1) ... Setting up readline-common (8.2-5) ... Setting up libxml2:amd64 (2.12.7+dfsg-3+b1) ... Setting up libbrotli-dev:amd64 (1.1.0-2+b4) ... Setting up chrpath (0.16-2+b1) ... Setting up libp11-kit-dev:amd64 (0.25.5-2) ... Setting up libblas-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsz2:amd64 (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 libgfortran-14-dev:amd64 (14.2.0-3) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up liblapack3:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libncurses-dev:amd64 (6.5-2) ... Setting up gettext (0.22.5-2) ... Setting up libgsl-dev (2.8+dfsg-3) ... Setting up libgmp-dev:amd64 (2:6.3.0+dfsg-2+b1) ... Setting up nettle-dev:amd64 (3.10-1) ... Setting up libxrender1:amd64 (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 libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libgdsii-dev:amd64 (0.2+ds.1-1+b1) ... Setting up libwebpdemux2:amd64 (1.4.0-0.1) ... Setting up libaec-dev:amd64 (1.1.3-1) ... Setting up libjpeg-dev:amd64 (1:2.1.5-3) ... Setting up libxext6:amd64 (2:1.3.4-1+b1) ... Setting up quilt (0.68-1) ... Setting up libldap-2.5-0:amd64 (2.5.18+dfsg-3) ... Setting up gfortran-14-x86-64-linux-gnu (14.2.0-3) ... Setting up pkgconf:amd64 (1.8.1-3) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3) ... Setting up libxnvctrl0:amd64 (535.171.04-1) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:amd64 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:amd64 (1:17.0.6-15) ... Setting up libfreetype6:amd64 (2.13.2+dfsg-1+b4) ... Setting up liblapack-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.21.3-3) ... Setting up libssh2-1-dev:amd64 (1.11.0-7) ... Setting up libjs-sphinxdoc (7.4.7-3) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:amd64 (8.2-5) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:amd64 (2.4.122-1) ... Setting up groff-base (1.23.0-5) ... Setting up libxslt1.1:amd64 (1.1.35-1.1) ... Setting up libharfbuzz0b:amd64 (9.0.0-1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libxss1:amd64 (1:1.2.3-1+b1) ... Setting up libfontconfig1:amd64 (2.15.0-1.1) ... Setting up gfortran-14 (14.2.0-3) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libfftw3-dev:amd64 (3.3.10-1+b3) ... Setting up liblbfgsb0:amd64 (3.0+dfsg.4-1+b1) ... Setting up libdrm-amdgpu1:amd64 (2.4.122-1) ... Setting up libgnutls28-dev:amd64 (3.8.6-2) ... Setting up libnghttp2-dev:amd64 (1.62.1-2) ... Setting up libibverbs1:amd64 (52.0-2) ... Setting up libxft2:amd64 (2.3.6-1+b1) ... Setting up libcurl4t64:amd64 (8.9.1-2) ... Setting up libtirpc3t64:amd64 (1.3.4+ds-1.3) ... Setting up ibverbs-providers:amd64 (52.0-2) ... Setting up guile-3.0-libs:amd64 (3.0.10-1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:amd64 (8.6.14-1) ... Setting up python3.12-tk (3.12.5-4) ... Setting up libctl7t64:amd64 (4.5.1-2.1) ... Setting up libreadline-dev:amd64 (8.2-5) ... Setting up libhwloc-plugins:amd64 (2.11.0-2) ... Setting up man-db (2.12.1-3) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran-x86-64-linux-gnu (4:14.1.0-2) ... Setting up gfortran (4:14.1.0-2) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.0~rc1-4) ... Setting up libraqm0:amd64 (0.10.1-1+b1) ... Setting up librtmp-dev:amd64 (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libpmix2t64:amd64 (5.0.3-2) ... Setting up libnsl2:amd64 (1.3.0-3+b2) ... Setting up librdmacm1t64:amd64 (52.0-2) ... Setting up libhdf5-103-1t64:amd64 (1.10.10+repack-4) ... Setting up guile-3.0 (3.0.10-1) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:amd64 (5.7.0-1) ... Setting up libfabric1:amd64 (1.17.0-3+b1) ... Setting up libhdf5-hl-100t64:amd64 (1.10.10+repack-4) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up libpython3.12-stdlib:amd64 (3.12.5-4) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3.12 (3.12.5-4) ... Setting up libhdf5-cpp-103-1t64:amd64 (1.10.10+repack-4) ... Setting up libhdf5-fortran-102t64:amd64 (1.10.10+repack-4) ... Setting up debhelper (13.20) ... Setting up libpython3.12t64:amd64 (3.12.5-4) ... Setting up libcurl4-openssl-dev:amd64 (8.9.1-2) ... Setting up libhsa-runtime64-1:amd64 (5.7.1-3) ... Setting up guile-3.0-dev (3.0.10-1) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-hl-cpp-100t64:amd64 (1.10.10+repack-4) ... Setting up libpython3-stdlib:amd64 (3.12.5-1) ... Setting up libhdf5-hl-fortran-100t64:amd64 (1.10.10+repack-4) ... Setting up python3 (3.12.5-1) ... Setting up libpython3.12-dev:amd64 (3.12.5-4) ... Setting up python3-zipp (3.20.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up libctl-dev:amd64 (4.5.1-2.1) ... Setting up python3-six (1.16.0-7) ... Setting up python3-pil:amd64 (10.4.0-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.1-1) ... Setting up libamdhip64-5 (5.7.1-4) ... 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 libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-kiwisolver (1.4.5-1+b1) ... Setting up python3.12-dev (3.12.5-4) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-lxml:amd64 (5.3.0-1) ... Setting up python3-dateutil (2.9.0-2) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-more-itertools (10.3.0-1) ... Setting up python3-sympy (1.13.2-1) ... Setting up python3-attr (24.2.0-1) ... Setting up libucx0:amd64 (1.17.0+ds-3) ... Setting up libpython3-dev:amd64 (3.12.5-1) ... Setting up python3-jaraco.functools (4.0.2-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-lz4 (4.0.2+dfsg-1+b4) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b2) ... Setting up python3-typeguard (4.3.0-1) ... Setting up python3-tk:amd64 (3.12.5-3) ... Setting up python3-inflect (7.3.1-1) ... Setting up python3-pil.imagetk:amd64 (10.4.0-1) ... Setting up python3-dev (3.12.5-1) ... Setting up libopenmpi3t64:amd64 (4.1.6-13.3) ... Setting up python3-pkg-resources (73.0.1-1) ... Setting up python3-setuptools (73.0.1-1) ... Setting up libhdf5-openmpi-103-1t64:amd64 (1.10.10+repack-4) ... Setting up python3-fs (2.4.16-4) ... Setting up mpb (1.11.1-6) ... Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-contourpy (1.2.1-1) ... Setting up python3-scipy (1.13.1-5) ... 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 (3.8.3-3) ... Processing triggers for libc-bin (2.39-7) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: user script /srv/workspace/pbuilder/1509364/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for unstable I: user script /srv/workspace/pbuilder/1509364/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-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 amd64 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.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am: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 [ "amd64" = "i386" ] || \ [ "amd64" = "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=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether 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... 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BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert x86_64-pc-linux-gnu file names to x86_64-pc-linux-gnu format... func_convert_file_noop checking how to convert x86_64-pc-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for x86_64-linux-gnu-file... no checking for file... file checking for x86_64-linux-gnu-objdump... x86_64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for x86_64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for x86_64-linux-gnu-ar... x86_64-linux-gnu-ar checking for archiver @FILE support... @ checking for x86_64-linux-gnu-strip... x86_64-linux-gnu-strip checking for x86_64-linux-gnu-ranlib... x86_64-linux-gnu-ranlib checking command to parse /usr/bin/x86_64-linux-gnu-nm -B output from x86_64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for x86_64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if x86_64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for x86_64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-gcc static flag -static works... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... yes checking if x86_64-linux-gnu-gcc supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-gcc linker (/usr/bin/ld -m elf_x86_64) 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... x86_64-linux-gnu-g++ -E checking for ld used by x86_64-linux-gnu-g++... /usr/bin/ld -m elf_x86_64 checking if the linker (/usr/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) supports shared libraries... yes checking for x86_64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC checking if x86_64-linux-gnu-g++ PIC flag -fPIC -DPIC works... yes checking if x86_64-linux-gnu-g++ static flag -static works... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... yes checking if x86_64-linux-gnu-g++ supports -c -o file.o... (cached) yes checking whether the x86_64-linux-gnu-g++ linker (/usr/bin/ld -m elf_x86_64) 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 x86_64-linux-gnu-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 -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... 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Add '+' to parent make rule. x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib 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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/sh ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection 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x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.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_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_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_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.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { 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.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { 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.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { 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.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]; } 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] dft.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP 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) { meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll 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, | ^~~~~~~ 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]; | ^~~~~~~~~ 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/x86_64-linux-gnu/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/x86_64-linux-gnu/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/x86_64-linux-gnu/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 ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.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 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 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: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.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: | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' 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_tag*)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ 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/x86_64-linux-gnu/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 ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/x86_64-linux-gnu/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 ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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 && x86_64-linux-gnu-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: x86_64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/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-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 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' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, 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 -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 -fcf-protection -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from 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); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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); | ^~~~~ 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]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath 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/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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: x86_64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: x86_64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/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/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-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.. -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 -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-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.. -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 -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-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.. -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 -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: x86_64-linux-gnu-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.. -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 -fcf-protection -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) { | ~~~~~~~~~~^~~~ libtool: compile: x86_64-linux-gnu-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.. -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 -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx: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() { | ^~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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: x86_64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-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.. -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 -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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: x86_64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: x86_64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/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 amd64 amd64 if [ "amd64" = "armel" ] || \ [ "amd64" = "riscv64" ] || \ [ "amd64" = "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' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp /bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: 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-L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath 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' . ./py-compile ./scheme ./scheme/meep.cpp ./scheme/meep-meep.o ./scheme/meep_swig_bug_workaround.i ./scheme/meep_enum_renames.i ./scheme/meep.scm.in ./scheme/ctl-io.cpp ./scheme/examples ./scheme/examples/group-velocity.ctl ./scheme/examples/metasurface_lens_phasemap.ctl ./scheme/examples/straight-waveguide.ctl ./scheme/examples/cylinder-cross-section.ctl ./scheme/examples/multilevel-atom.ctl ./scheme/examples/parallel-wvgs-mpb.ctl ./scheme/examples/gaussian-beam.ctl ./scheme/examples/antenna-radiation.ctl ./scheme/examples/perturbation-theory-2d.ctl ./scheme/examples/faraday-rotation.ctl ./scheme/examples/differential-cross-section.ctl ./scheme/examples/pw-source.ctl ./scheme/examples/absorbed-power-density.ctl ./scheme/examples/holey-wvg-bands.ctl ./scheme/examples/binary_grating_oblique.ctl ./scheme/examples/refl-angular.ctl ./scheme/examples/binary_grating_n2f.ctl ./scheme/examples/binary_grating.ctl ./scheme/examples/mode-coeffs.ctl ./scheme/examples/oblique-planewave.ctl ./scheme/examples/polarization_grating.ctl ./scheme/examples/chirped-pulse.ctl ./scheme/examples/refl-angular-kz2d.ctl ./scheme/examples/cavity-farfield.ctl ./scheme/examples/finite_grating.ctl ./scheme/examples/refl-quartz.ctl ./scheme/examples/material-dispersion.ctl ./scheme/examples/parallel-wvgs-force.ctl ./scheme/examples/bent-waveguide.ctl ./scheme/examples/3rd-harm-1d.ctl ./scheme/examples/oblique-source.ctl ./scheme/examples/ring.ctl ./scheme/examples/binary_grating_phasemap.ctl ./scheme/examples/metasurface_lens_farfield.ctl ./scheme/examples/metal-cavity-ldos.ctl ./scheme/examples/zone-plate.ctl ./scheme/examples/ring-cyl.ctl ./scheme/examples/wvg_src.ctl ./scheme/examples/mie-scattering.ctl ./scheme/examples/cherenkov-radiation.ctl ./scheme/examples/perturbation-theory.ctl ./scheme/examples/holey-wvg-cavity.ctl ./scheme/examples/stochastic-emitter.ctl ./scheme/examples/mode-decomposition.ctl ./scheme/examples/bend-flux.ctl ./scheme/examples/solve-cw.ctl ./scheme/meep_wrap.cxx.bak ./scheme/casimir.scm ./scheme/meep-ctl-io.o ./scheme/meep ./scheme/ctl-io.i ./scheme/meep.scm ./scheme/meep-geom.o ./scheme/Makefile.in ./scheme/meep_renames.i ./scheme/meep-ctl-const.hpp ./scheme/meep-ctl-swig.hpp ./scheme/meep_wrap.patch ./scheme/materials.scm ./scheme/meep-structure.o ./scheme/meep.i ./scheme/geom.cpp ./scheme/Makefile ./scheme/meep_wrap.cxx.orig ./scheme/Makefile.am ./scheme/structure.cpp ./scheme/meep_wrap.cxx ./scheme/main.cpp ./scheme/meep-ctl.hpp ./scheme/.libs ./scheme/.libs/meep ./scheme/ctl-io.h ./scheme/meep-meep_wrap.o ./scheme/meep-main.o ./scheme/meep_op_renames.i ./scheme/meep-enums.scm ./.sourcery.yaml ./codemeta.json ./mkdocs.yml ./index.md ./missing ./LICENSE ./TODO ./config.status ./.github ./.github/workflows ./.github/workflows/build-ci.yml ./.github/workflows/pre-commit.yml ./.github/workflows/build-san.yml ./.github/dependabot.yml ./Makefile.in ./meep.pc ./meep-pkgconfig.in ./python ./python/_meep.la ./python/_mpb_la-mpb-python.o ./python/examples ./python/examples/phase_in_material.py ./python/examples/media ./python/examples/media/hole-wvg-cavity.mp4 ./python/examples/media/ring_mid.mp4 ./python/examples/media/hole-wvg-cavity-res.mp4 ./python/examples/media/straight_waveguide.mp4 ./python/examples/media/visualization_demo.gif ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/oblique-source-eig.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 ./python/examples/media/ring_simple.mp4 ./python/examples/media/visualization_demo.mp4 ./python/examples/media/bent_waveguide.mp4 ./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 ./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 ./python/examples/media/ring_large.mp4 ./python/examples/media/oblique-source-normal.mp4 ./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 ./python/examples/media/visualization_normalize.mp4 ./python/examples/refl-angular.ipynb ./python/examples/metal-cavity-ldos.py ./python/examples/mpb_line_defect.py ./python/examples/mpb_honey_rods.py ./python/examples/planar_cavity_ldos.py ./python/examples/faraday-rotation.py ./python/examples/mode-decomposition.ipynb ./python/examples/mpb_bragg.py ./python/examples/coupler.gds ./python/examples/multilevel-atom.py ./python/examples/mie_scattering.ipynb ./python/examples/refl-angular.py ./python/examples/differential_cross_section.py ./python/examples/metasurface_lens.py ./python/examples/antenna-radiation.py ./python/examples/wvg-src.py ./python/examples/antenna_pec_ground_plane.py ./python/examples/mie_scattering.py ./python/examples/coupler.ipynb ./python/examples/oblique-source.ipynb ./python/examples/cylinder_cross_section.ipynb ./python/examples/parallel-wvgs-mpb.py ./python/examples/holey-wvg-cavity.ipynb ./python/examples/holey-wvg-bands.py ./python/examples/mpb_tutorial.py ./python/examples/straight-waveguide.ipynb ./python/examples/mpb_data_analysis.py ./python/examples/bend-flux.ipynb ./python/examples/antenna-radiation.ipynb ./python/examples/polarization_grating.ipynb ./python/examples/polarization_grating.py ./python/examples/metal-cavity-ldos.ipynb ./python/examples/parallel-wvgs-force.ipynb ./python/examples/oblique-planewave.py ./python/examples/ring.ipynb ./python/examples/eps_fit_lorentzian.py ./python/examples/refl-angular-kz2d.py ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints ./python/examples/adjoint_optimization/.ipynb_checkpoints/03-Filtered_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/.ipynb_checkpoints/02-Waveguide_Bend-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/04-Splitter-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/Bend Minimax-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/cyl-ellipsoid.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/mode-decomposition.py ./python/examples/finite_grating.py ./python/examples/stochastic_emitter_reciprocity.py ./python/examples/oblique-planewave.ipynb ./python/examples/mpb_tri_holes.py ./python/examples/stochastic_emitter.py ./python/examples/ring-cyl.py ./python/examples/perturbation_theory.py ./python/examples/binary_grating.ipynb ./python/examples/grating2d_triangular_lattice.py ./python/examples/diffracted_planewave.py ./python/examples/cylinder_cross_section.py ./python/examples/perturbation_theory.ipynb ./python/examples/coupler.py ./python/examples/extraction_eff_ldos.py ./python/examples/oblique-source.py ./python/examples/absorbed_power_density.py ./python/examples/finite_grating.ipynb ./python/examples/mpb_tri_rods.py ./python/examples/cavity-farfield.py ./python/examples/ring-mode-overlap.py ./python/examples/pw-source.py ./python/examples/parallel-wvgs-force.py ./python/examples/holey-wvg-bands.ipynb ./python/examples/mpb_hole_slab.py ./python/examples/absorber-1d.py ./python/examples/perturbation_theory_2d.py ./python/examples/solve-cw.py ./python/examples/binary_grating_n2f.ipynb ./python/examples/README.md ./python/examples/mpb_sq_rods.py ./python/examples/binary_grating_oblique.py ./python/examples/bent-waveguide.ipynb ./python/examples/mpb_bragg_sine.py ./python/examples/gaussian-beam.py ./python/examples/binary_grating_phasemap.py ./python/examples/binary_grating.py ./python/examples/3rd-harm-1d.ipynb ./python/examples/mpb_strip.py ./python/examples/solve-cw.ipynb ./python/examples/refl-quartz.ipynb ./python/examples/zone_plate.py ./python/examples/ring_gds.py ./python/examples/bent-waveguide.py ./python/examples/metasurface_lens.ipynb ./python/examples/3rd-harm-1d.py ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_line_defect.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_holes.cpython-312.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-312.pyc ./python/examples/__pycache__/mpb_sq_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_strip.cpython-312.pyc ./python/examples/__pycache__/mpb_diamond.cpython-312.pyc ./python/examples/cherenkov-radiation.py ./python/examples/material-dispersion.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/cavity-farfield.ipynb ./python/examples/stochastic_emitter.ipynb ./python/examples/ring.py ./python/examples/stochastic_emitter_line.py ./python/examples/mpb_diamond.py ./python/examples/chirped_pulse.py ./python/examples/absorbed_power_density.ipynb ./python/examples/zone_plate.ipynb ./python/examples/holey-wvg-cavity.py ./python/examples/differential_cross_section.ipynb ./python/examples/straight-waveguide.py ./python/examples/cavity_arrayslice.py ./python/examples/binary_grating_n2f.py ./python/examples/refl-quartz.py ./python/examples/bend-flux.py ./python/chunk_balancer.py ./python/meep ./python/meep/chunk_balancer.py ./python/meep/mpb ./python/meep/mpb/_mpb.so ./python/meep/mpb/__init__.py ./python/meep/mpb/solver.py ./python/meep/mpb/mpb_data.py ./python/meep/mpb/__pycache__ ./python/meep/mpb/__pycache__/__init__.cpython-312.pyc ./python/meep/mpb/__pycache__/mpb_data.cpython-312.pyc ./python/meep/mpb/__pycache__/solver.cpython-312.pyc ./python/meep/verbosity_mgr.py ./python/meep/source.py ./python/meep/geom.py ./python/meep/__init__.py ./python/meep/visualization.py ./python/meep/timing_measurements.py ./python/meep/adjoint ./python/meep/adjoint/optimization_problem.py ./python/meep/adjoint/filter_source.py ./python/meep/adjoint/filters.py ./python/meep/adjoint/__init__.py ./python/meep/adjoint/utils.py ./python/meep/adjoint/connectivity.py ./python/meep/adjoint/objective.py ./python/meep/adjoint/basis.py ./python/meep/adjoint/__pycache__ ./python/meep/adjoint/__pycache__/utils.cpython-312.pyc ./python/meep/adjoint/__pycache__/objective.cpython-312.pyc ./python/meep/adjoint/__pycache__/__init__.cpython-312.pyc ./python/meep/adjoint/__pycache__/basis.cpython-312.pyc ./python/meep/adjoint/__pycache__/optimization_problem.cpython-312.pyc ./python/meep/adjoint/__pycache__/filter_source.cpython-312.pyc ./python/meep/adjoint/wrapper.py ./python/meep/binary_partition_utils.py ./python/meep/materials.py ./python/meep/_meep.so ./python/meep/__pycache__ ./python/meep/__pycache__/geom.cpython-312.pyc ./python/meep/__pycache__/binary_partition_utils.cpython-312.pyc ./python/meep/__pycache__/__init__.cpython-312.pyc ./python/meep/__pycache__/verbosity_mgr.cpython-312.pyc ./python/meep/__pycache__/materials.cpython-312.pyc ./python/meep/__pycache__/source.cpython-312.pyc ./python/meep/__pycache__/simulation.cpython-312.pyc ./python/meep/__pycache__/visualization.cpython-312.pyc ./python/meep/__pycache__/timing_measurements.cpython-312.pyc ./python/meep/simulation.py ./python/Makefile.in ./python/meep.py ./python/_meep_la-meep-python.lo ./python/tests ./python/tests/test_multilevel_atom.trs ./python/tests/test_array_metadata.trs ./python/tests/test_pw_source.py ./python/tests/test_binary_grating.log ./python/tests/test_refl_angular.py ./python/tests/test_3rd_harm_1d.trs ./python/tests/test_user_defined_material.log ./python/tests/test_force.trs ./python/tests/test_holey_wvg_bands.py ./python/tests/test_diffracted_planewave.py ./python/tests/test_cavity_farfield.py ./python/tests/test_material_dispersion.py ./python/tests/test_array_metadata.log ./python/tests/test_ring_cyl.log ./python/tests/test_pw_source.trs ./python/tests/test_absorber_1d.py ./python/tests/test_mode_decomposition.py ./python/tests/test_ring_cyl.py ./python/tests/test_timing_measurements.log ./python/tests/test_dispersive_eigenmode.py ./python/tests/test_ldos.log ./python/tests/test_adjoint_solver.log ./python/tests/test_get_epsilon_grid.py ./python/tests/test_faraday_rotation.py ./python/tests/test_dft_fields.trs ./python/tests/test_materials_library.py ./python/tests/test_3rd_harm_1d.py ./python/tests/test_ring.trs ./python/tests/test_simulation.trs ./python/tests/test_binary_partition_utils.log ./python/tests/test_chunk_balancer.log ./python/tests/test_cyl_ellipsoid.trs ./python/tests/test_faraday_rotation.log ./python/tests/test_source.py ./python/tests/test_kdom.trs ./python/tests/test_cavity_farfield.log ./python/tests/test_gaussianbeam.py ./python/tests/test_physical.py ./python/tests/test_adjoint_solver.py ./python/tests/test_oblique_source.trs ./python/tests/test_user_defined_material.trs ./python/tests/test_chunks.py ./python/tests/test_holey_wvg_bands.log ./python/tests/test_get_point.py ./python/tests/test_cyl_ellipsoid.log ./python/tests/test_force.py ./python/tests/test_mode_decomposition.trs ./python/tests/test_faraday_rotation.trs ./python/tests/test_chunks.trs ./python/tests/test_physical.trs ./python/tests/test_cavity_arrayslice.log ./python/tests/test_chunk_balancer.py ./python/tests/test_mode_coeffs.py ./python/tests/test_material_dispersion.log ./python/tests/test_diffracted_planewave.log ./python/tests/test_absorber_1d.log ./python/tests/test_divide_mpi_processes.trs ./python/tests/test_mode_coeffs.trs ./python/tests/test_wvg_src.log ./python/tests/test_dft_energy.trs ./python/tests/test_geom.log ./python/tests/test_get_epsilon_grid.trs ./python/tests/test_verbosity_mgr.py ./python/tests/test_material_grid.trs ./python/tests/test_source.log ./python/tests/test_wvg_src.py ./python/tests/test_adjoint_utils.py ./python/tests/test_binary_grating.trs ./python/tests/test_field_functions.trs ./python/tests/test_chunks.log ./python/tests/test_visualization.log ./python/tests/test_dft_fields.py ./python/tests/test_conductivity.trs ./python/tests/test_get_point.log ./python/tests/test_holey_wvg_cavity.trs ./python/tests/test_timing_measurements.py ./python/tests/test_cavity_arrayslice.py ./python/tests/test_mpb.log ./python/tests/test_prism.log ./python/tests/test_divide_mpi_processes.py ./python/tests/test_dispersive_eigenmode.trs ./python/tests/test_integrated_source.log ./python/tests/test_multilevel_atom.log ./python/tests/test_binary_partition_utils.py ./python/tests/test_field_functions.log ./python/tests/test_n2f_periodic.py ./python/tests/test_material_grid.log ./python/tests/test_absorber_1d.trs ./python/tests/test_simulation.py ./python/tests/test_adjoint_solver.trs ./python/tests/test_medium_evaluations.py ./python/tests/test_dispersive_eigenmode.log 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./configure ./depcomp ./m4 ./m4/libtool.m4 ./m4/lt~obsolete.m4 ./m4/ax_gcc_x86_cpuid.m4 ./m4/ax_lapack.m4 ./m4/pkg.m4 ./m4/ax_cxx_compile_stdcxx.m4 ./m4/ax_gcc_archflag.m4 ./m4/ax_compiler_vendor.m4 ./m4/ax_check_compiler_flags.m4 ./m4/ax_openmp.m4 ./m4/ax_mpi.m4 ./m4/ltoptions.m4 ./m4/ltversion.m4 ./m4/ax_cxx_maxopt.m4 ./m4/ax_blas.m4 ./m4/ltsugar.m4 ./meep-pkgconfig ./contrib ./contrib/build-meep.sh ./.mailmap ./config.h ./.gitignore ./autom4te.cache ./autom4te.cache/requests ./autom4te.cache/traces.0 ./autom4te.cache/traces.3 ./autom4te.cache/output.0 ./autom4te.cache/traces.2 ./autom4te.cache/output.2 ./autom4te.cache/output.1 ./autom4te.cache/output.3 ./autom4te.cache/traces.1 ./config.h.in ./config.guess ./src ./src/casimir.lo ./src/vec.o ./src/near2far.cpp ./src/dft.o ./src/sphere-quad.h ./src/energy_and_flux.o ./src/stress.cpp ./src/update_eh.o ./src/meepgeom.lo ./src/dft.cpp ./src/material_data.lo ./src/susceptibility.cpp ./src/integrate2.cpp ./src/casimir.cpp 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./src/support/mt19937ar.c ./src/support/mt19937ar.o ./src/support/Makefile.in ./src/support/meep_mt.h ./src/support/mt19937ar.lo ./src/support/Makefile ./src/support/Makefile.am ./src/support/libsupport.la ./src/support/.libs ./src/support/.libs/mt19937ar.o ./src/support/.libs/libsupport.a ./src/support/.libs/libsupport.la ./src/array_slice.lo ./src/sources.cpp ./src/loop_in_chunks.o ./src/near2far.lo ./src/dft_ldos.lo ./src/bands.lo ./src/output_directory.o ./src/material_data.hpp ./src/bicgstab.lo ./src/mpb.cpp ./src/sphere-quad.cpp ./src/fields.lo ./src/structure.lo ./src/update_pols.cpp ./src/step_generic_stride1.o ./src/output_directory.lo ./src/monitor.o ./src/Makefile ./src/multilevel-atom.cpp ./src/casimir.o ./src/sources.o ./src/h5fields.o ./src/h5file.lo ./src/structure_dump.cpp ./src/Makefile.am ./src/meepgeom.cpp ./src/boundaries.lo ./src/vec.cpp ./src/step_db.cpp ./src/integrate.lo ./src/sphere_quad ./src/fields_dump.lo ./src/structure.o ./src/step_generic.o 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./src/.libs/anisotropic_averaging.o ./src/.libs/bicgstab.o ./src/.libs/libmeep.so.30.0.0 ./src/.libs/loop_in_chunks.o ./src/.libs/output_directory.o ./src/.libs/step_generic_stride1.o ./src/.libs/monitor.o ./src/.libs/casimir.o ./src/.libs/sources.o ./src/.libs/h5fields.o ./src/.libs/libmeep.lai ./src/.libs/libmeep.so.30 ./src/.libs/structure.o ./src/.libs/step_generic.o ./src/.libs/integrate2.o ./src/.libs/step.o ./src/.libs/GDSIIgeom.o ./src/.libs/stress.o ./src/.libs/step_db.o ./src/.libs/fields_dump.o ./src/.libs/random.o ./src/.libs/h5file.o ./src/.libs/multilevel-atom.o ./src/.libs/meepgeom.o ./src/.libs/cw_fields.o ./src/.libs/mympi.o ./src/.libs/libmeep.so ./src/.libs/fix_boundary_sources.o ./src/.libs/libmeep.la ./src/.libs/mpb.o ./src/.libs/near2far.o ./src/.libs/libmeep.a ./src/bands.cpp ./src/meepgeom.o ./src/cw_fields.o ./src/bicgstab.cpp ./src/update_pols.lo ./src/random.lo ./src/mympi.o ./src/material_data.cpp ./src/meep_internals.hpp ./src/time.cpp ./src/multilevel-atom.lo ./src/fix_boundary_sources.o ./src/libmeep.la ./src/vec.lo ./src/mpb.o ./src/step_generic.cpp ./src/dft_ldos.cpp ./src/near2far.o ./src/output_directory.cpp ./debian ./debian/control ./debian/meep.install ./debian/watch ./debian/README.source ./debian/meep.manpages ./debian/libmeep30.install ./debian/changelog ./debian/meep.1 ./debian/rules ./debian/meep.docs ./debian/python3-meep.postinst ./debian/patches ./debian/patches/python-distutils.patch ./debian/patches/i386-fix.patch ./debian/patches/series ./debian/.debhelper ./debian/.debhelper/generated ./debian/.debhelper/generated/_source ./debian/.debhelper/generated/_source/home ./debian/.debhelper/generated/_source/home/.cache ./debian/.debhelper/generated/_source/home/.cache/guile ./debian/.debhelper/generated/_source/home/.cache/guile/ccache ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7 ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go ./debian/autoreconf.before ./debian/autoreconf.after ./debian/docs ./debian/libmeep30.lintian-overrides ./debian/python3-meep.install ./debian/upstream ./debian/upstream/metadata ./debian/python3-meep.prerm ./debian/libmeep-dev.install ./debian/copyright ./debian/source ./debian/source/format ./debian/source/lintian-overrides ./debian/missing-sources ./debian/missing-sources/modernizr-2.8.3.js ./debian/missing-sources/highlight.js ./debian/missing-sources/jquery-2.1.1.js ./add_type_hints.xonsh ./libpympb ./libpympb/libpympb_la-pympb.o ./libpympb/Makefile.in ./libpympb/libpympb_la-pympb.lo ./libpympb/Makefile ./libpympb/Makefile.am ./libpympb/pympb.cpp ./libpympb/.libs ./libpympb/.libs/libpympb_la-pympb.o ./libpympb/.libs/libpympb.a ./libpympb/.libs/libpympb.so.30.0.0 ./libpympb/.libs/libpympb.so ./libpympb/.libs/libpympb.lai ./libpympb/.libs/libpympb.so.30 ./libpympb/.libs/libpympb.la ./libpympb/pympb.hpp ./libpympb/libpympb.la ./stamp-h1 ./codecov.yml ./.clang-format ./.flake8 ./compile ./.gitattributes ./COPYRIGHT ./.pc ./.pc/python-distutils.patch ./.pc/python-distutils.patch/python ./.pc/python-distutils.patch/python/visualization.py ./.pc/python-distutils.patch/doc ./.pc/python-distutils.patch/doc/docs ./.pc/python-distutils.patch/doc/docs/setup.py ./.pc/python-distutils.patch/configure.ac ./.pc/.quilt_patches ./.pc/applied-patches ./.pc/.quilt_series ./.pc/.version ./.pre-commit-config.yaml ./configure.ac ======================================== 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 cache directory at /tmp/matplotlib-sp_hfm1j because the default path (/nonexistent/second-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. /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) 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 = 0.3785 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-byfq_2o2 because the default path (/nonexistent/second-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. /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) 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 = 0.3429 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-stp08ede because the default path (/nonexistent/second-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. /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) 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 = 0.3362 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 cache directory at /tmp/matplotlib-md8jilr4 because the default path (/nonexistent/second-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 = 0.0028 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/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 cache directory at /tmp/matplotlib-9875ku05 because the default path (/nonexistent/second-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 = 0.0009 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-zyob4sz5 because the default path (/nonexistent/second-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. /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) 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 = 0.3345 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-7djy39xn because the default path (/nonexistent/second-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. /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:549: UserWarning: The value of the smallest subnormal for type is zero. setattr(self, word, getattr(machar, word).flat[0]) /usr/lib/python3/dist-packages/numpy/core/getlimits.py:89: UserWarning: The value of the smallest subnormal for type is zero. return self._float_to_str(self.smallest_subnormal) 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 = 0.3362 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-xyrsuep1 because the default path (/nonexistent/second-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/meepfwWQZ2/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: 0.0018982887268066406 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 11 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525806 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653589 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.22742070896945 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595338 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.9599758521139403 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209035 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.880767945096899 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484458 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680406 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288497 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595174 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692499949 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.834767852380851 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477671 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347114 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531659 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026499 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416982 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360684 (0.00776977% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320745163302405 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030389 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035343 (0.00161738% change) linmin: converged after 5 iterations. iteration 24: trace = 0.8320296693273969 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490102705 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.8320231011390544 (0.000282188% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320218176827517 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241197 (9.04494e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 0.8320205764596332 (5.87322e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320203215524494 (3.06371e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8320202068535008 (1.37856e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439113906 (7.56497e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056783553 (4.59521e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829984286 (2.72589e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693469976 (1.64076e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200636022761 (6.90455e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8320200604496077 (3.78917e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8320200588885587 (1.87622e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8320200580360416 (1.02464e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200576147473 (5.06351e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8320200574061605 (2.50699e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8320200572926093 (1.36476e-08% change) linmin: converged after 7 iterations. iteration 43: trace = 0.8320200572316058 (7.33198e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981696 (4.01867e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8320200571762061 (2.63979e-09% change) linmin: converged after 7 iterations. iteration 46: trace = 0.8320200571626003 (1.63527e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8320200571545779 (9.64203e-10% change) linmin: converged after 8 iterations. iteration 48: trace = 0.8320200571500291 (5.46718e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 0.8320200571472443 (3.34713e-10% change) linmin: converged after 6 iterations. iteration 50: trace = 0.8320200571454032 (2.21279e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 0.832020057144456 (1.13835e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439169 (6.4797e-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: 0.11671924591064453 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073580264 (1.48851% change) linmin: converged after 7 iterations. iteration 2: trace = 0.836415826892428 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576179084 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.834249341372225 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.832750686725621 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.831802239248742 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193315808 (0.0574123% change) linmin: converged after 7 iterations. iteration 8: trace = 0.8309940498476012 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497537 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965058 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188765283 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030385 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818053 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313088 (0.00170449% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8305386872319385 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462615 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791161 (0.000176617% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8305331675841146 (0.000114805% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8305322746123354 (3.69061e-05% change) linmin: converged after 13 iterations. iteration 21: trace = 0.8305320916748298 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893367 (1.07986e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8305319557055921 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924425 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092434 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197279 (1.43155e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8305318965921994 (9.18391e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8305318905537223 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8305318875556134 (3.60987e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8305318858786975 (2.01909e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8305318849630977 (1.10243e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.83053188455333 (4.9338e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8305318842111979 (4.11943e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8305318840358373 (2.11143e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8305318839403597 (1.1496e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001316 (4.84366e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8305318838746908 (3.06319e-09% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8305318838577103 (2.04454e-09% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8305318838472715 (1.25688e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 0.8305318838419795 (6.37181e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 0.8305318838394076 (3.09674e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8305318838374596 (2.34548e-10% change) linmin: converged after 11 iterations. iteration 43: trace = 0.8305318838359883 (1.77148e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.8305318838350267 (1.15777e-10% change) linmin: converged after 13 iterations. iteration 45: trace = 0.830531883834597 (5.1746e-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: 0.16380596160888672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601013094 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083119653 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664943838 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918506055 (0.119613% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8311832900374694 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.830643239426455 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416616999911 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132785964 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559959648 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450117425 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209969028 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236590538 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420166465 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420039 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940682 (0.00049413% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8299288478334288 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859864951 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864058952 (0.000144541% change) linmin: converged after 3 iterations. iteration 19: trace = 0.829925065824703 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651354 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997327 (3.22397e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8299242050799012 (2.08236e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8299241006170164 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288709488 (8.6449e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8299239857346408 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673494 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095064 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817773 (6.17855e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8299239486790267 (2.53367e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8299239474471359 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467744979 (8.10482e-08% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8299239462912057 (5.82333e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822301 (2.51801e-08% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8299239459468974 (1.63066e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8299239458765889 (8.47168e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.829923945819853 (6.83628e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 0.8299239457895662 (3.64934e-09% change) linmin: converged after 18 iterations. iteration 38: trace = 0.8299239457730854 (1.98582e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.829923945762245 (1.30618e-09% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8299239457533897 (1.06701e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 0.8299239457488127 (5.51497e-10% change) linmin: converged after 21 iterations. iteration 42: trace = 0.8299239457466062 (2.65863e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457753 (1.00117e-10% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8299239457452545 (6.27534e-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: 0.15855669975280762 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710375606 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464026576 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214250784 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434686574 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199989654 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396397916 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310408798 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777512345 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.828853635231303 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540905853 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8284802606975388 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573576957 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933128 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330452679 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017525594 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886158 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625777 (0.000707472% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8282850045905191 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111423 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842404 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330931 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972714 (4.1017e-05% change) linmin: converged after 10 iterations. iteration 23: trace = 0.8282810615722169 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635211562 (1.18379e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507056 (6.69706e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8282808797258175 (3.41972e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907806 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640866 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579752 (7.37203e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817696 (4.07616e-07% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8282808435852023 (2.53123e-07% change) linmin: converged after 22 iterations. iteration 32: trace = 0.8282808424976615 (1.31301e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8282808418243516 (8.12901e-08% change) linmin: converged after 26 iterations. iteration 34: trace = 0.8282808413684954 (5.50364e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.828280841140105 (2.7574e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8282808410003677 (1.68708e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8282808409003379 (1.20768e-08% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8282808408204219 (9.64843e-09% change) linmin: converged after 23 iterations. iteration 39: trace = 0.8282808407815202 (4.69668e-09% change) linmin: converged after 20 iterations. iteration 40: trace = 0.8282808407436588 (4.57108e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 0.8282808407148377 (3.47964e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 0.8282808406920071 (2.75637e-09% change) linmin: converged after 20 iterations. iteration 43: trace = 0.8282808406803962 (1.40181e-09% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8282808406737897 (7.97615e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 0.8282808406704854 (3.98942e-10% change) linmin: converged after 20 iterations. iteration 46: trace = 0.8282808406687542 (2.09008e-10% change) linmin: converged after 16 iterations. iteration 47: trace = 0.8282808406678079 (1.14242e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.828280840667424 (4.63508e-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: 0.17329812049865723 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8297766891069731 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684665089 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084565217 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488851038 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.821302982849101 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591654698 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8200782988766928 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796506 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501049 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872542 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404151 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298404 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611286 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377106 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623282 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744633 (0.000194331% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8195753474397358 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742771 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734993 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048918 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680505 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620216 (2.88028e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8195746392254358 (1.29782e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8195746328348417 (7.79745e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8195746295494712 (4.00863e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.819574628150167 (1.70735e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.819574627240056 (1.11047e-07% change) linmin: converged after 13 iterations. iteration 29: trace = 0.8195746268100962 (5.24613e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8195746264084744 (1.34678e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 0.819574626315677 (1.13226e-08% change) linmin: converged after 21 iterations. iteration 33: trace = 0.8195746262714604 (5.39507e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8195746262510977 (2.48455e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8195746262406685 (1.27252e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 0.8195746262340663 (8.0556e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 0.8195746262311594 (3.54684e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8195746262301516 (1.2296e-10% change) linmin: converged after 14 iterations. iteration 39: trace = 0.819574626229673 (5.83982e-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: 0.14078474044799805 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200978 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160611 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594326705 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531225 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327961 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218349 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190501 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418244 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.815302039455432 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511838 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958286 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8152664896382907 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375412 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738085 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303294074 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119021 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347021 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120725 (1.73837e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8152593920835799 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039602 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987894 (2.72369e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8152593247016553 (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 = 0.8152593138254384 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047849 (2.23322e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8152593112736251 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092139 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.815259310849337 (1.96106e-08% change) linmin: converged after 14 iterations. iteration 29: trace = 0.8152593107911468 (7.13763e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8152593107576603 (4.10746e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456161 (1.47735e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8152593107377915 (9.59772e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8152593107338367 (4.85088e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317029 (2.61739e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.815259310730681 (1.2534e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299856 (8.53034e-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: 0.1305074691772461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.821370409986769 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691139 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603227 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631808 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594185 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067763 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413469 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.810170532140577 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866153 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.810127159684356 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539548 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189375 (0.000599572% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8101112551273704 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752453 (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 = 0.8101090557261186 (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 = 0.8101088443461926 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233447 (1.2866e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101088287653664 (6.36702e-07% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8101088257061433 (3.77631e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653309 (2.2723e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101088226655317 (1.48103e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8101088219921039 (8.31281e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8101088216435341 (4.30275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8101088214253348 (2.69346e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419818 (1.02891e-08% change) linmin: converged after 7 iterations. iteration 31: trace = 0.810108821310263 (3.91538e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101088212925489 (2.18663e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8101088212829828 (1.18084e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101088212792965 (4.55034e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8101088212770267 (2.80191e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8101088212756522 (1.69663e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8101088212748287 (1.01647e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41195e-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: 0.13685822486877441 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711280252 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969772575 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.805333055837807 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609682 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835426756 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843842 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577098 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265869 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041444 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698008 (0.00357167% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8027995733459991 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323363 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539709 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8027839219051784 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.802783473220715 (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 = 0.8027831684655302 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738787 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936691 (2.14008e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027830866479161 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597426 (8.58037e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027830760515264 (4.6192e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.8027830736191417 (3.02994e-07% change) linmin: converged after 23 iterations. iteration 25: trace = 0.8027830724307849 (1.4803e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.802783071757542 (8.38636e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027830715079969 (3.1085e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 0.8027830713939035 (1.42122e-08% change) linmin: converged after 12 iterations. iteration 29: trace = 0.8027830713270424 (8.32866e-09% change) linmin: converged after 22 iterations. iteration 30: trace = 0.802783071298987 (3.49477e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027830712879676 (1.37265e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8027830712796175 (1.04014e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027830712735204 (7.59484e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713145 (2.74782e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 0.8027830712698051 (1.88028e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027830712687665 (1.29377e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683007 (5.80155e-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: 0.13397645950317383 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225888147 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588192878 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136602734 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724598679 (0.0823728% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8032567356251885 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650606 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048993 (0.0128625% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8028182815775589 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785095 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407243 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526494 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8027279829144561 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143823 (0.000511108% change) linmin: converged after 5 iterations. iteration 14: trace = 0.802721142098596 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384176 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701811 (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 = 0.8027159091591474 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781742 (1.27419e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027157420448232 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436422 (4.07382e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8027156963900606 (1.61372e-06% change) linmin: converged after 21 iterations. iteration 24: trace = 0.8027156897719048 (8.24471e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140719 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301813 (1.97317e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538276 (8.42582e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8027156842766803 (5.94416e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251533 (3.13345e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8027156839051051 (1.49553e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.802715683853704 (6.4034e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8027156838186866 (4.36236e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027156837999561 (2.3334e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 0.8027156837942564 (7.10048e-10% change) linmin: converged after 12 iterations. iteration 35: trace = 0.8027156837904589 (4.73084e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8027156837880033 (3.0591e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027156837870201 (1.22486e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865845 (5.42584e-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: 0.13697052001953125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.81552943763693 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522678332 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935487387 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331387632 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607972 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564982 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115423182 (0.0223593% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8114739977365056 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433781 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799227 (0.0086925% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8112504355243503 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173142 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.811182625400972 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.811159352366833 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100563 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139368 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057771 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456813 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274568 (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 = 0.8111287652725699 (3.03516e-05% change) linmin: converged after 12 iterations. iteration 22: trace = 0.8111286057812002 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.811128523442616 (1.01511e-05% change) linmin: converged after 22 iterations. iteration 24: trace = 0.8111284687544931 (6.74223e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8111284433477544 (3.13227e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222031219 (2.60682e-06% change) linmin: converged after 25 iterations. iteration 27: trace = 0.8111284113560471 (1.33728e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028316927 (1.05093e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915548 (4.98089e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.811128396788974 (2.46888e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216868 (1.56238e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8111283948185326 (8.66884e-08% change) linmin: converged after 20 iterations. iteration 33: trace = 0.8111283945321667 (3.53046e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54753e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8111283943165311 (1.11094e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 0.8111283942752683 (5.08708e-09% change) linmin: converged after 11 iterations. iteration 37: trace = 0.8111283942632429 (1.48255e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8111283942557574 (9.22845e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508327 (6.07145e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481882 (3.26034e-10% change) linmin: converged after 14 iterations. iteration 41: trace = 0.8111283942468087 (1.70066e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8111283942460432 (9.43746e-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: 0.15151762962341309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269209446 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.827355026462319 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782056244 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101628934576 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222279177 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425231913 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507087041 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802243929 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695642303 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191261524 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287639451 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982961504 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353220518 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211850548 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771352076 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953720222 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570076447 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360017697 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855886204 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002105967 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754427954 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292129 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947454 (0.000353121% change) linmin: converged after 5 iterations. iteration 24: trace = 0.819074813932527 (0.000280372% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8190737905148688 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722773 (9.79085e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8190726416047907 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469594 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325828 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223058891 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361974 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506279 (1.67086e-06% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8190722717209055 (1.00476e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8190722641677792 (9.22156e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175836 (8.85172e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8190722523986513 (5.51714e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 0.8190722470126113 (6.57578e-07% change) linmin: converged after 7 iterations. iteration 38: trace = 0.8190722404773005 (7.97892e-07% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8190722358112574 (5.69674e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.819072232713411 (3.78214e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8190722304560768 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582339 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638572 (1.21403e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8190722275599032 (7.37364e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229287 (2.89321e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693907 (1.87454e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8190722271071549 (7.59833e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 0.8190722270707881 (4.44e-09% change) linmin: converged after 8 iterations. iteration 49: trace = 0.8190722270585117 (1.49882e-09% change) linmin: converged after 9 iterations. iteration 50: trace = 0.8190722270528314 (6.93496e-10% change) linmin: converged after 2 iterations. iteration 51: trace = 0.8190722270495938 (3.9528e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8190722270481847 (1.72036e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 0.8190722270473992 (9.58991e-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: 0.19010496139526367 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723246575208 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838459059703 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719752377973 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500822182408 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308842095282 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449349130132 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055812011 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668461114 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147433555 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758596253 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572251591 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869969691 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838527378 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495612961 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.809029904831553 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961709383 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.809014953258021 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585544 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828483 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490818 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733325 (3.89828e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8090112622133538 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213241 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767132 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273191 (1.84786e-06% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8090111376871489 (1.4759e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8090111299481237 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591644 (8.02085e-07% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8090111190077993 (5.50223e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 0.8090111160067404 (3.70954e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8090111140715629 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8090111128405609 (1.52161e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8090111123538611 (6.01598e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8090111120761609 (3.43259e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8090111118275729 (3.07274e-08% change) linmin: converged after 9 iterations. iteration 36: trace = 0.8090111117288277 (1.22057e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8090111116923974 (4.50307e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8090111116668653 (3.15595e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8090111116513792 (1.91421e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8090111116440931 (9.00613e-10% change) linmin: converged after 8 iterations. iteration 41: trace = 0.8090111116401743 (4.84402e-10% change) linmin: converged after 7 iterations. iteration 42: trace = 0.8090111116384466 (2.13547e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8090111116376205 (1.02114e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 0.809011111637009 (7.55874e-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: 0.1582627296447754 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851171028939 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273679645 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308030294 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240617594 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043904985 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308346033 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147946 (0.0192663% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8101854245831668 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830516069 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445535005 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717303 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865759 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483951 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435783 (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 = 0.8101015590582977 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593606 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005625 (2.94516e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 0.8101014766732861 (1.22544e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101014719162731 (5.87212e-07% change) linmin: converged after 9 iterations. iteration 22: trace = 0.8101014694525351 (3.04127e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8101014680412499 (1.74211e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8101014671897433 (1.05111e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101014666458746 (6.71359e-08% change) linmin: converged after 21 iterations. iteration 26: trace = 0.8101014663668955 (3.44375e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.810101466265404 (1.25282e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 0.81010146620943 (6.90951e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8101014661850824 (3.0055e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8101014661721246 (1.59952e-09% change) linmin: converged after 10 iterations. iteration 31: trace = 0.8101014661683203 (4.69607e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8101014661663729 (2.40395e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8101014661650514 (1.63128e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8101014661646309 (5.19136e-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: 0.12304472923278809 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8384802898745893 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911062945 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232297395 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100239 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8273222532323038 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608251799 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.825746249526539 (0.0654359% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8254198265356778 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616752 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.825060638482868 (0.0156616% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8249885908464127 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823401 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650685 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087209 (0.00138894% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8249097450566564 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163058 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750687 (0.000252458% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724941 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074979 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447533 (2.18405e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8249015845869493 (1.16084e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8249015344706894 (6.07542e-06% change) linmin: converged after 29 iterations. iteration 24: trace = 0.8249015089280828 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902014 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.824901488614488 (7.60783e-07% change) linmin: converged after 20 iterations. iteration 27: trace = 0.8249014853873696 (3.91213e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8249014836509936 (2.10495e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636325 (1.07572e-07% change) linmin: converged after 18 iterations. iteration 30: trace = 0.8249014823775741 (4.68005e-08% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8249014822007897 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.824901482090505 (1.33694e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8249014820217438 (8.33568e-09% change) linmin: converged after 17 iterations. iteration 34: trace = 0.8249014819930198 (3.48212e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693661 (2.86746e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.824901481953956 (1.86812e-09% change) linmin: converged after 29 iterations. iteration 37: trace = 0.8249014819460345 (9.60289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.824901481942062 (4.81571e-10% change) linmin: converged after 12 iterations. iteration 39: trace = 0.8249014819395264 (3.07387e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8249014819380522 (1.78707e-10% change) linmin: converged after 19 iterations. iteration 41: trace = 0.8249014819373074 (9.02955e-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: 0.14816904067993164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504591123 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126043947 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944515184 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8335042421908354 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937665399 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220851 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782410276 (0.0557151% change) linmin: converged after 4 iterations. iteration 8: trace = 0.829643818342118 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716858 (0.0169034% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8294292605779853 (0.00896136% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8293938184228483 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030893 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786953 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962766 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035652 (0.000263575% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.829360506372306 (7.26427e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8293602062721993 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222398 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560092 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100364 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795793 (3.76561e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 0.8293598817828403 (1.97704e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8293598714059208 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872627 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133634 (3.34463e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8293598612781703 (1.85106e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.829359860406113 (1.05148e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8293598600266681 (4.57515e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.829359859880868 (1.75798e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8293598598147822 (7.96829e-09% change) linmin: converged after 15 iterations. iteration 32: trace = 0.8293598597813754 (4.02803e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8293598597669891 (1.73462e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 0.8293598597619863 (6.03209e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 0.8293598597589525 (3.658e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 0.8293598597571552 (2.16714e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 0.8293598597560862 (1.28899e-10% change) linmin: converged after 12 iterations. iteration 38: trace = 0.8293598597555062 (6.99311e-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: 0.13735747337341309 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244383111 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022391054 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479244907 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672427864 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545398473 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568487466 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065786069 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793125117 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396589 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982039 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237533 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855955 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853659 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258959 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047004 (0.000387298% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8320220385837229 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606001 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344799 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623704 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730953 (1.56353e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8320201840423713 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422794 (5.54074e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320200998172955 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733774 (3.10617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921723 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872655 (4.21253e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 6 iterations. iteration 28: trace = 0.8320200583654859 (1.64481e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.832020057676187 (8.28464e-08% change) linmin: converged after 26 iterations. iteration 30: trace = 0.8320200574763273 (2.4021e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161713 (1.92491e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89362e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976759 (4.34827e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200571735464 (2.90011e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.832020057159289 (1.7136e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 0.832020057152568 (8.07788e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484557 (4.94251e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8320200571461506 (2.77055e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8320200571449828 (1.40349e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443126 (8.05559e-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: 0.08851814270019531 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839493 at Vector3<0.5, 0.0, 0.0> to 0.365115253765172 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.3071498340039349 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714739 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 2.2908942699432373 done /tmp/meepfwWQZ2/test_anisotropic_2d_gap-0: 2.29s /tmp/meepfwWQZ2/test_attribute_accessors-0 ======================== /tmp/meepfwWQZ2/test_attribute_accessors-0: 0.00s /tmp/meepfwWQZ2/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: 0.0001780986785888672 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 = 27.80144625042668 (180.5% change) linmin: converged after 16 iterations. iteration 2: trace = 19.82418800058347 (33.4999% change) linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 53.125%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) iteration 7: trace = 18.62909560171773 (0.000350373% change) iteration 8: trace = 18.62908847487772 (3.82565e-05% change) iteration 9: trace = 18.62908778007814 (3.72965e-06% change) iteration 10: trace = 18.62908770043223 (4.27535e-07% change) iteration 11: trace = 18.62908769519267 (2.81257e-08% change) iteration 12: trace = 18.62908769492712 (1.42543e-09% change) iteration 13: trace = 18.62908769487256 (2.92889e-10% change) iteration 14: trace = 18.62908769486296 (5.15293e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.0020599365234375 total elapsed time for run: 0.002279520034790039 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 .Outputting fields to /tmp/meepfwWQZ2/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepfwWQZ2/test_bragg-0: 0.01s /tmp/meepfwWQZ2/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: 0.003336668014526367 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 17 iterations. iteration 1: trace = 17.30275056402841 (175.314% change) linmin: converged after 9 iterations. iteration 2: trace = 11.97603738636608 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626017051 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486916847 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618325 (0.0540165% change) linmin: converged after 6 iterations. iteration 6: trace = 11.08249596623342 (0.00433692% change) linmin: converged after 8 iterations. iteration 7: trace = 11.08219937792932 (0.00267622% change) large trace change predicted (0.0167813%) linmin: converged after 7 iterations. iteration 8: trace = 11.08038971307203 (0.0163308% change) large trace change predicted (0.0812504%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305297898712 (0.0662356% change) linmin: converged after 6 iterations. iteration 10: trace = 11.07180720675659 (0.0112511% change) linmin: converged after 4 iterations. iteration 11: trace = 11.07168891574546 (0.0010684% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167969018408 (8.33257e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167909042108 (5.41709e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 11.07167890182987 (1.70337e-06% change) large trace change predicted (8.12195e-06%) linmin: converged after 4 iterations. iteration 15: trace = 11.07167800259409 (8.12195e-06% change) large trace change predicted (2.54249e-05%) linmin: converged after 13 iterations. switching to approximate line minimization (decrease time by 60.6667%) iteration 16: trace = 11.07167518731303 (2.54278e-05% change) iteration 17: trace = 11.07167456090449 (5.65776e-06% change) iteration 18: trace = 11.07167451845372 (3.83418e-07% change) iteration 19: trace = 11.0716745146616 (3.42506e-08% change) iteration 20: trace = 11.07167451442014 (2.18088e-09% change) iteration 21: trace = 11.07167451438608 (3.07583e-10% change) iteration 22: trace = 11.07167451438342 (2.40662e-11% change) Finished solving for bands 2 to 8 after 22 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: 0.0030126571655273438 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 11.04206955262355 (0.320499% change) linmin: converged after 12 iterations. switching to approximate line minimization (decrease time by 59.2391%) iteration 2: trace = 11.02780896838892 (0.129231% change) iteration 3: trace = 11.02772008156092 (0.000806028% change) switching back to exact line minimization large trace change predicted (0.0933415%) linmin: converged after 10 iterations. iteration 4: trace = 11.01808188010612 (0.087438% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01665829223711 (0.0129213% change) linmin: converged after 12 iterations. iteration 6: trace = 11.01541748904653 (0.0112636% change) linmin: converged after 7 iterations. iteration 7: trace = 11.01435266966481 (0.00966709% change) linmin: converged after 6 iterations. iteration 8: trace = 11.01353949624207 (0.00738313% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01298611923383 (0.00502464% change) linmin: converged after 5 iterations. iteration 10: trace = 11.01261586808088 (0.00336201% change) linmin: converged after 6 iterations. iteration 11: trace = 11.01235805622353 (0.00234109% change) linmin: converged after 6 iterations. iteration 12: trace = 11.01216931943055 (0.00171388% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01202460002592 (0.00131419% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01190905172292 (0.0010493% change) linmin: converged after 5 iterations. iteration 15: trace = 11.01181345496043 (0.000868125% change) linmin: converged after 5 iterations. iteration 16: trace = 11.01173180794388 (0.000741452% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01166002032833 (0.000651922% change) linmin: converged after 6 iterations. iteration 18: trace = 11.01159517356121 (0.000588894% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01153508173038 (0.000545716% change) linmin: converged after 6 iterations. iteration 20: trace = 11.01147802033475 (0.000518198% change) linmin: converged after 6 iterations. iteration 21: trace = 11.01142255170843 (0.000503736% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01136740757644 (0.000500792% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01131140758369 (0.000508567% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01125340147553 (0.000526788% change) linmin: converged after 6 iterations. iteration 25: trace = 11.01119222862673 (0.00055555% change) linmin: converged after 8 iterations. iteration 26: trace = 11.01112669212019 (0.000595183% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01105554814261 (0.000646112% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01097750888802 (0.000708738% change) linmin: converged after 8 iterations. iteration 29: trace = 11.01089126395248 (0.000783266% change) linmin: converged after 8 iterations. iteration 30: trace = 11.01079551337918 (0.000869603% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01068901972037 (0.00096718% change) linmin: converged after 6 iterations. iteration 32: trace = 11.01057066107897 (0.00107495% change) linmin: converged after 5 iterations. iteration 33: trace = 11.01043949292692 (0.0011913% change) linmin: converged after 6 iterations. iteration 34: trace = 11.01029479656469 (0.00131418% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01013617169209 (0.00144071% change) linmin: converged after 5 iterations. iteration 36: trace = 11.00996354436245 (0.00156791% change) linmin: converged after 7 iterations. iteration 37: trace = 11.00977724074104 (0.00169215% change) linmin: converged after 5 iterations. iteration 38: trace = 11.0095781987202 (0.00180788% change) linmin: converged after 7 iterations. iteration 39: trace = 11.00936779295864 (0.00191113% change) linmin: converged after 7 iterations. iteration 40: trace = 11.00914820315747 (0.00199459% change) linmin: converged after 8 iterations. iteration 41: trace = 11.00892219819203 (0.0020529% change) linmin: converged after 5 iterations. iteration 42: trace = 11.0086931226263 (0.00208084% change) linmin: converged after 4 iterations. iteration 43: trace = 11.00846417847862 (0.00207969% change) linmin: converged after 8 iterations. iteration 44: trace = 11.00823865320097 (0.00204867% change) linmin: converged after 7 iterations. iteration 45: trace = 11.00801924819832 (0.00199312% change) linmin: converged after 5 iterations. iteration 46: trace = 11.00780764488893 (0.00192228% change) linmin: converged after 6 iterations. iteration 47: trace = 11.00760499872322 (0.00184095% change) linmin: converged after 7 iterations. iteration 48: trace = 11.00741171300463 (0.00175594% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00722773763401 (0.00167139% change) linmin: converged after 6 iterations. iteration 50: trace = 11.00705260394417 (0.00159109% change) linmin: converged after 8 iterations. iteration 51: trace = 11.00688580697379 (0.00151538% change) linmin: converged after 7 iterations. iteration 52: trace = 11.00672667251839 (0.00144578% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00657460182065 (0.00138163% change) linmin: converged after 5 iterations. iteration 54: trace = 11.00642903071241 (0.00132259% change) linmin: converged after 6 iterations. iteration 55: trace = 11.0062894157043 (0.00126849% change) linmin: converged after 8 iterations. iteration 56: trace = 11.00615533676415 (0.00121821% change) linmin: converged after 6 iterations. iteration 57: trace = 11.00602639693622 (0.00117153% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00590229460009 (0.00112759% change) linmin: converged after 6 iterations. iteration 59: trace = 11.00578277282365 (0.00108598% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00566762688659 (0.00104624% change) linmin: converged after 5 iterations. iteration 61: trace = 11.00555666977866 (0.00100819% change) linmin: converged after 6 iterations. iteration 62: trace = 11.00544976151814 (0.000971407% change) linmin: converged after 6 iterations. iteration 63: trace = 11.00534677886451 (0.000935747% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00524759951529 (0.000901196% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00515212271913 (0.000867561% change) linmin: converged after 6 iterations. iteration 66: trace = 11.005060237511 (0.000834932% change) linmin: converged after 6 iterations. iteration 67: trace = 11.00497183956609 (0.000803251% change) linmin: converged after 8 iterations. iteration 68: trace = 11.00488682123713 (0.000772548% change) linmin: converged after 6 iterations. iteration 69: trace = 11.00480506389176 (0.000742921% change) resetting CG direction... large trace change predicted (0.115675%) linmin: converged after 6 iterations. iteration 70: trace = 10.99201570644716 (0.116284% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99061838639606 (0.0127129% change) linmin: converged after 6 iterations. iteration 72: trace = 10.98948365079823 (0.0103251% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818710888535 (0.0117987% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802561489575 (0.00146972% change) linmin: converged after 5 iterations. iteration 75: trace = 10.98801515939348 (9.51536e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 10.98801412698274 (9.39579e-06% change) linmin: converged after 8 iterations. iteration 77: trace = 10.98801409648353 (2.77568e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409327749 (2.91776e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409316268 (1.04486e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 10.98801409297194 (1.73591e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 10.98801409305413 (7.48032e-10% change) linmin: converged after 4 iterations. iteration 82: trace = 10.98801409293997 (1.03903e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 10.98801409302847 (8.0547e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409286828 (1.45788e-09% change) linmin: converged after 7 iterations. iteration 85: trace = 10.988014092977 (9.89411e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 10.98801409285304 (1.12815e-09% change) linmin: converged after 10 iterations. iteration 87: trace = 10.98801409308749 (2.13373e-09% change) linmin: converged after 18 iterations. iteration 88: trace = 10.98801409290514 (1.6595e-09% change) linmin: converged after 9 iterations. iteration 89: trace = 10.98801409292489 (1.79672e-10% change) linmin: converged after 27 iterations. iteration 90: trace = 10.98801409292255 (2.12102e-11% change) Finished solving for bands 1 to 8 after 90 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: 0.014919757843017578 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046738319 (0.0079352% change) linmin: converged after 3 iterations. iteration 2: trace = 10.90359830858074 (0.00148719% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960454553 (0.000813533% change) linmin: converged after 3 iterations. iteration 4: trace = 10.9034523035622 (0.000525529% change) linmin: converged after 3 iterations. iteration 5: trace = 10.90344655289566 (5.27417e-05% change) linmin: converged after 21 iterations. switching to approximate line minimization (decrease time by 70.7819%) iteration 6: trace = 10.90344608445383 (4.29627e-06% change) iteration 7: trace = 10.90344604871542 (3.27772e-07% change) iteration 8: trace = 10.90344604735269 (1.24981e-08% change) iteration 9: trace = 10.9034460473056 (4.31942e-10% change) iteration 10: trace = 10.90344604730441 (1.08666e-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: 0.0015125274658203125 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318744929 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179049726 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.82863914564726 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430663 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.7066e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.0015654563903808594 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 25 iterations. switching to approximate line minimization (decrease time by 73.5507%) iteration 5: trace = 10.76374486740369 (3.88727e-06% change) iteration 6: trace = 10.76374482182858 (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: 0.0014472007751464844 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978489 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425325 (0.000730287% change) linmin: converged after 6 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 = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.69717e-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: 0.0014040470123291016 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 = 10.66388494713198 (4.78725e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40091e-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: 0.0014462471008300781 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 = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05289e-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: 0.001390695571899414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.43412e-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: 0.0012562274932861328 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638372 (0.000714253% change) linmin: converged after 4 iterations. iteration 3: trace = 10.5889748855018 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18199e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377203 (2.93572e-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: 0.0012793540954589844 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 (1.56373e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34922e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491709 (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: 0.0012524127960205078 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: 0.30640302623084364 at Vector3<0.5, 0.0, 0.0> to 0.46877485262406204 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501415389 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541648 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155570466 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648243388 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025873 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379697166039 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800995005009 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910495 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483625 at Vector3<0.5, 0.0, 0.0> to 1.9999072008368353 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084364), 44.546421284285884% Gap from band 2 (0.46877485262406204) to band 3 (0.5466257501415389), 15.334026256324425% Gap from band 3 (0.7316504426541648) to band 4 (0.7842615905093817), 6.941187444158363% Gap from band 4 (0.9893486155570466) to band 5 (1.0240548648243388), 3.447520539769614% Gap from band 5 (1.2440980042025873) to band 6 (1.266656686185507), 1.7969642410133513% Gap from band 6 (1.4970379697166039) to band 7 (1.5115800995005009), 0.9666982946546708% Gap from band 7 (1.7488359039910495) to band 8 (1.7581683208483625), 0.5322158890607179% total elapsed time for run: 0.034155845642089844 done /tmp/meepfwWQZ2/test_bragg_sine-0: 0.04s /tmp/meepfwWQZ2/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: 0.0016260147094726562 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.13970470428466797 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4202096462249756 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09195947647094727 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.0852816104888916 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09887433052062988 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15363669395446777 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11584210395812988 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09903192520141602 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08507061004638672 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08174848556518555 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08129596710205078 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06465578079223633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.0747232437133789 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10231471061706543 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12010955810546875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24761199951171875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.064199924468994 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepfwWQZ2/test_compute_field_energy-0: 2.07s /tmp/meepfwWQZ2/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: 0.0016169548034667969 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1394367218017578 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4207942485809326 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09212017059326172 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08730578422546387 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10081982612609863 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15466928482055664 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11596846580505371 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09903383255004883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08527994155883789 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08176398277282715 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08160018920898438 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06471896171569824 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07476449012756348 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10248470306396484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11995291709899902 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24737834930419922 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0702333450317383 done /tmp/meepfwWQZ2/test_compute_group_velocity-0: 2.07s /tmp/meepfwWQZ2/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: 0.0016388893127441406 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1395721435546875 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4212162494659424 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0920417308807373 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08533024787902832 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0987405776977539 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15379619598388672 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1159822940826416 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09898591041564941 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08497118949890137 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08175468444824219 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08136105537414551 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.0646367073059082 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.0747077465057373 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10250306129455566 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1196596622467041 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24740076065063477 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0648021697998047 done Fixing h-field (band 8) phase by -1 + 2.61271e-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/meepfwWQZ2/test_compute_integrals-0: 2.07s /tmp/meepfwWQZ2/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: 0.02505660057067871 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 = 7.793809388876705 (194.671% change) linmin: converged after 9 iterations. iteration 2: trace = 1.602644292878243 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863323821914 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732460474549 (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 = 1.082571254980189 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773774 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.077841961858109 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120797 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396719 (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 8 iterations. iteration 18: trace = 1.074920023198569 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055658 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.07491389724555 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130553 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440155 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476407 (4.21396e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 1.074911185373714 (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 8 iterations. iteration 26: trace = 1.074908146483127 (0.000205022% change) large trace change predicted (0.000513655%) linmin: converged after 7 iterations. iteration 27: trace = 1.074902628231891 (0.000513371% change) linmin: converged after 6 iterations. iteration 28: trace = 1.07489427477573 (0.000777139% change) linmin: converged after 10 iterations. iteration 29: trace = 1.074885559294586 (0.000810825% change) linmin: converged after 7 iterations. iteration 30: trace = 1.07487875130051 (0.000633371% change) linmin: converged after 8 iterations. iteration 31: trace = 1.074871979315249 (0.000630025% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074864290605019 (0.000715317% change) linmin: converged after 6 iterations. iteration 33: trace = 1.074857335708988 (0.000647051% change) linmin: converged after 5 iterations. iteration 34: trace = 1.07485261192785 (0.000439481% change) linmin: converged after 5 iterations. iteration 35: trace = 1.074850531096997 (0.000193592% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707709224 (7.66049e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321521 (2.85052e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849273653973 (1.18777e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.074849202665489 (6.60451e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.074849166432306 (3.371e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 1.074849150238602 (1.5066e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849143714862 (6.06945e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.074849140933157 (2.588e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.074849139366229 (1.45781e-07% change) linmin: converged after 17 iterations. iteration 45: trace = 1.074849138484937 (8.19921e-08% change) linmin: converged after 17 iterations. iteration 46: trace = 1.074849138034038 (4.195e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805368 (2.12746e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074849137683473 (1.13407e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 1.074849137606193 (7.18978e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.074849137561191 (4.18686e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.074849137540538 (1.92152e-09% change) linmin: converged after 6 iterations. iteration 52: trace = 1.074849137533198 (6.82837e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.074849137531017 (2.02905e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.074849137530236 (7.26549e-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: 0.40368127822875977 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858894969229 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649196263 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.07251725089513 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267318321722 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684351104 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614527449 (0.00131225% change) linmin: converged after 6 iterations. iteration 7: trace = 1.072176813419732 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174588798702 (0.000207487% change) linmin: converged after 6 iterations. iteration 9: trace = 1.072173275804353 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792706117 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507113538 (2.66368e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.072172093433364 (3.85834e-05% change) linmin: converged after 15 iterations. iteration 13: trace = 1.072171277788257 (7.60741e-05% change) large trace change predicted (0.000180552%) linmin: converged after 3 iterations. iteration 14: trace = 1.072169342012669 (0.000180547% change) linmin: converged after 6 iterations. iteration 15: trace = 1.072167408073178 (0.000180376% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07216645616984 (8.87831e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970163146 (4.53294e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682211661 (2.6857e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408273896 (2.555e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072165207651939 (1.87118e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.072165103677908 (9.69758e-06% change) linmin: converged after 8 iterations. iteration 22: trace = 1.072165061729308 (3.91251e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577667 (1.0401e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945176 (2.4553e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308083 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160097 (1.38025e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103966 (5.23532e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.072165047075589 (2.64667e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.072165047058599 (1.58468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048056 (9.83369e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.072165047042509 (5.17293e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.072165047039761 (2.56327e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072165047038644 (1.04233e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072165047038118 (4.90204e-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: 0.2553749084472656 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440465997937 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807425879 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667496332 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06558596722854 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753691639 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120722214 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506870622606 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504384684949 (0.000233311% change) linmin: converged after 22 iterations. iteration 9: trace = 1.065503073447468 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572100317 (4.70526e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065502157705918 (3.88919e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.065501551233871 (5.69189e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878587815 (6.31295e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065500247902232 (5.91915e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909232228 (3.17851e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690824919 (2.04981e-05% change) linmin: converged after 16 iterations. iteration 17: trace = 1.065499506928144 (1.72592e-05% change) linmin: converged after 27 iterations. iteration 18: trace = 1.065499383728825 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698607 (6.38482e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220954 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548668 (5.32359e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.06549928702242 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677923 (3.2332e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73406e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.065499286570306 (2.36607e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00357e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551558 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546964 (4.31232e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.065499286545303 (1.55817e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.065499286544839 (4.35754e-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: 0.22562384605407715 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504517075 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549181389 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.05750209007881 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559167011 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691612308 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876222962 (0.00130666% change) linmin: converged after 6 iterations. iteration 7: trace = 1.057292723706862 (0.000771072% change) linmin: converged after 5 iterations. iteration 8: trace = 1.057291059116352 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409956604 (6.13984e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221449912 (1.78292e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 1.057290112032823 (1.03488e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057289958938371 (1.44799e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05728978927021 (1.60475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908519 (1.27081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.05728960466556 (4.75205e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705058 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702317 (4.73167e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780873 (1.81733e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678029 (1.04309e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066725 (5.7818e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21278e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749872 (7.84065e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 1.057289581718886 (2.93067e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697567 (2.01636e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676835 (1.96087e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662599 (1.34648e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.53573e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289581655315 (1.35332e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057289581654964 (3.32661e-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: 0.2180650234222412 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648812437 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285820777 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.0493148991074 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172109 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038102 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260245 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311484 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387941 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127791569493 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.04912767663003 (1.09557e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.049127634485087 (4.01714e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.049127595483644 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.04912755411629 (3.94302e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.049127517065821 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744463 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460314 (3.13036e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551344 (8.66406e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 1.049127498234714 (3.01803e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.049127497940212 (2.80711e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468461 (4.4966e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017248 (4.30084e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798791 (2.08227e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.049127496735695 (6.01412e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.049127496715389 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707378 (7.63516e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 1.04912749670408 (3.1438e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.049127496702448 (1.55582e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.04912749670163 (7.79496e-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: 0.2107985019683838 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345921672305 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342829177 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013898 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041500108180174 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801538 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.04145683290917 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.041452129686212 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409511 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275424 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335743 (1.00763e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.041450551023692 (3.1026e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 1.041450527028449 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527927 (3.1207e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.041450435394978 (5.67794e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 1.041450384495814 (4.88733e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324394 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415189 (3.35198e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.041450255970141 (5.99597e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.041450142733955 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666066 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793363 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149661 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239027 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517449 (6.9286e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090018 (4.10418e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597004 (4.73393e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726589 (8.35772e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065749 (1.59474e-07% change) large trace change predicted (4.18902e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703093 (4.18902e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041450002242117 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 25 iterations. iteration 31: trace = 1.041449968104932 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 9 iterations. iteration 32: trace = 1.041449888871911 (7.60795e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 1.041449762143144 (1.21685e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.041449617732965 (1.38663e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 1.041449518800035 (9.49954e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 1.041449483215057 (3.41687e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 1.041449473025059 (9.78444e-07% change) linmin: converged after 11 iterations. iteration 38: trace = 1.041449470385691 (2.53432e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.041449469588858 (7.65119e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 1.041449469287297 (2.89559e-08% change) linmin: converged after 21 iterations. iteration 41: trace = 1.041449469189137 (9.42536e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 1.041449469160068 (2.79125e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449469152533 (7.23476e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.04144946915032 (2.12482e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 1.041449469149454 (8.31082e-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: 0.34479236602783203 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/meepfwWQZ2/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/meepfwWQZ2/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/meepfwWQZ2/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/meepfwWQZ2/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, 0.435375, 0.326046 Outputting /tmp/meepfwWQZ2/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665397852365 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261690379781 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058206448938 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314488134805 (0.658768% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895432957606 (0.335661% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850695556537 (0.299864% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826540744309 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456631616534 (0.0365291% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302654802857 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263471429735 (0.00387079% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248752514102 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243324581168 (0.000536227% change) linmin: converged after 4 iterations. iteration 13: trace = 1.012239244019039 (0.000403121% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234290090542 (0.000489404% change) linmin: converged after 6 iterations. iteration 15: trace = 1.012226177553938 (0.000801452% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339976737 (0.00136705% change) linmin: converged after 5 iterations. iteration 17: trace = 1.012198494873001 (0.00136782% change) linmin: converged after 14 iterations. iteration 18: trace = 1.01218820498116 (0.00101659% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979191693 (0.000516288% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431890691 (0.000251664% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179050262794 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436829549 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.01217813830648 (2.94931e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609133 (1.28137e-05% change) linmin: converged after 13 iterations. iteration 25: trace = 1.012177948013639 (5.98664e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.012177914414861 (3.31945e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.01217789939853 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703018 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011659 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482535 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943437 (5.32612e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797324 (1.44356e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757117 (3.97228e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.01217788574262 (1.43227e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 1.012177885736502 (6.04461e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.012177885733487 (2.97887e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731925 (1.54263e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.012177885730708 (1.2026e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.012177885728812 (1.87345e-10% change) large trace change predicted (3.79636e-10%) linmin: converged after 5 iterations. iteration 40: trace = 1.012177885724976 (3.78967e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719433 (5.47599e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.012177885715903 (3.48803e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 1.012177885714417 (1.46826e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.012177885713604 (8.02686e-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: 0.3290586471557617 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055187095 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.986660751679959 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345723789 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004081825 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.985572286100927 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500249424 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508570572 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633528354 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516310522371 (4.38638e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 0.9855514450623342 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230134106 (1.23838e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9855511986809358 (1.26155e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9855510508801276 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 5 iterations. iteration 14: trace = 0.9855506934426012 (3.62678e-05% change) large trace change predicted (0.000117861%) linmin: converged after 5 iterations. iteration 15: trace = 0.9855495321103869 (0.000117836% change) large trace change predicted (0.00166435%) linmin: converged after 6 iterations. iteration 16: trace = 0.9855348565365381 (0.00148909% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855133241467 (0.00500687% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692406895214 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542304755862 (0.00152317% change) linmin: converged after 8 iterations. iteration 20: trace = 0.9854392652397095 (0.00151862% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239723783296 (0.00155189% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9854083684239272 (0.00158349% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925738606739 (0.00160286% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765724013024 (0.00162388% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601687710491 (0.00166472% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431486244694 (0.00172732% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9853255014309963 (0.00179099% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075618095639 (0.0018207% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899478011016 (0.00178768% change) linmin: converged after 9 iterations. iteration 30: trace = 0.9852733012228144 (0.00168952% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580327820775 (0.00154968% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442535801191 (0.00139855% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318618943778 (0.00125774% change) linmin: converged after 6 iterations. iteration 34: trace = 0.9852206614348566 (0.00113684% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104433963962 (0.00103714% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010266450926 (0.000955816% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922707824456 (0.000888743% change) linmin: converged after 4 iterations. iteration 38: trace = 0.9851840753707002 (0.000831863% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763731873757 (0.000781804% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691215599174 (0.000736077% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622938373381 (0.000693053% change) linmin: converged after 4 iterations. iteration 42: trace = 0.985155872077998 (0.00065185% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498414783594 (0.000612149% change) linmin: converged after 7 iterations. iteration 44: trace = 0.9851441866707311 (0.000574006% change) linmin: converged after 5 iterations. iteration 45: trace = 0.985138889774108 (0.000537679% change) linmin: converged after 5 iterations. iteration 46: trace = 0.985133929523912 (0.000503509% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292818557378 (0.000471781% change) linmin: converged after 7 iterations. iteration 48: trace = 0.9851249205027524 (0.00044272% change) linmin: converged after 6 iterations. iteration 49: trace = 0.9851208179683515 (0.000416449% change) linmin: converged after 5 iterations. iteration 50: trace = 0.9851169466019023 (0.000392985% change) linmin: converged after 5 iterations. iteration 51: trace = 0.9851132794205391 (0.000372259% change) linmin: converged after 6 iterations. iteration 52: trace = 0.985109790832833 (0.000354131% change) linmin: converged after 7 iterations. iteration 53: trace = 0.98510645710795 (0.000338412% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032567005502 (0.00032488% change) linmin: converged after 8 iterations. iteration 55: trace = 0.9851001704698975 (0.000313291% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971817835199 (0.00030339% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942764892118 (0.000294925% change) linmin: converged after 6 iterations. iteration 58: trace = 0.985091442876421 (0.000287649% change) linmin: converged after 7 iterations. iteration 59: trace = 0.9850886715782785 (0.000281324% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859553938563 (0.00027573% change) linmin: converged after 6 iterations. iteration 61: trace = 0.9850832891120949 (0.000270665% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806692965066 (0.000265949% change) linmin: converged after 3 iterations. iteration 63: trace = 0.9850780940264909 (0.000261428% change) linmin: converged after 9 iterations. iteration 64: trace = 0.9850755626342055 (0.000256974% change) linmin: converged after 5 iterations. iteration 65: trace = 0.9850730754278573 (0.000252489% change) linmin: converged after 5 iterations. iteration 66: trace = 0.9850706334157524 (0.000247902% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682380418601 (0.000243168% change) linmin: converged after 6 iterations. iteration 68: trace = 0.9850658909459264 (0.000238268% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850635937430814 (0.000233203% change) resetting CG direction... large trace change predicted (0.0412899%) linmin: converged after 4 iterations. iteration 70: trace = 0.984656320909412 (0.0413534% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601746300234 (0.0199223% change) linmin: converged after 6 iterations. iteration 72: trace = 0.9843700916746623 (0.00915091% change) linmin: converged after 4 iterations. iteration 73: trace = 0.9843454551516437 (0.0025028% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741606924 (0.00147114% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269359841216 (0.000410247% change) linmin: converged after 3 iterations. iteration 76: trace = 0.9843259254957233 (0.000102658% change) linmin: converged after 3 iterations. iteration 77: trace = 0.984325260278889 (6.7581e-05% change) linmin: converged after 16 iterations. iteration 78: trace = 0.9843249585574556 (3.06526e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 0.9843248270013296 (1.33651e-05% change) linmin: converged after 2 iterations. iteration 80: trace = 0.9843247642150001 (6.37862e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334132978 (3.12922e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239626907 (9.60111e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 0.9843247200126927 (4.0129e-07% change) linmin: converged after 5 iterations. iteration 84: trace = 0.9843247177619137 (2.28662e-07% change) linmin: converged after 13 iterations. iteration 85: trace = 0.9843247140405498 (3.78063e-07% change) large trace change predicted (8.17085e-07%) linmin: converged after 3 iterations. iteration 86: trace = 0.9843247059977581 (8.17087e-07% change) large trace change predicted (1.83763e-06%) linmin: converged after 3 iterations. iteration 87: trace = 0.9843246879096608 (1.83761e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 0.9843246566924536 (3.17143e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 0.9843246205594831 (3.67084e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064914508 (1.42921e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 0.9843246017419645 (4.82512e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 0.9843246002812466 (1.48398e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240308 (3.62904e-08% change) linmin: converged after 2 iterations. iteration 94: trace = 0.9843245998040704 (1.21871e-08% change) linmin: converged after 5 iterations. iteration 95: trace = 0.9843245997561378 (4.86959e-09% change) linmin: converged after 6 iterations. iteration 96: trace = 0.9843245997431125 (1.32328e-09% change) linmin: converged after 3 iterations. iteration 97: trace = 0.984324599740466 (2.68858e-10% change) linmin: converged after 2 iterations. iteration 98: trace = 0.9843245997396692 (8.09496e-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: 0.72469162940979 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769162886698 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655434911 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.958516571280313 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893126026 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534782664552 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743066758 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087074998 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698780972583 (0.000911647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.957662913242139 (0.000727274% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9576596029390384 (0.000345665% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418226341 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119836578 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729700537 (4.58425e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 0.957656162942213 (2.19314e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823091441 (8.41984e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.957656002308769 (8.35377e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 0.9576558845376733 (1.22979e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.9576557606444888 (1.29371e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.957655689870502 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427234 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473596 (6.78257e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556586034578 (1.82101e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296438 (3.90343e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581383974 (9.52811e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169067 (2.24409e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121116 (5.00707e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9576556581107267 (1.44613e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 0.9576556581103903 (3.51272e-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: 0.21073102951049805 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872233943 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597604793 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739511361 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083778428 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896466663 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673700729 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197641757 (0.001652% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9411228844443945 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177224094729 (0.000548499% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9411142194220592 (0.000372216% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9411125302487315 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700161734 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151349418 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125578108 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457022 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731924944 (1.15323e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 0.9411112675855424 (5.9578e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112644312221 (3.3517e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729449 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571752 (2.1419e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302788 (1.51618e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.941111257989665 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179182 (1.82494e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.9411112577748086 (4.5807e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644269 (1.10313e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9411112577622895 (2.27115e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9411112577617218 (6.03295e-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: 0.2035377025604248 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335017 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968815 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397474 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243475 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145767 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214827 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9357260906567758 (0.00022612% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9357251462394733 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926672 (6.7418e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9357241186857073 (4.23957e-05% change) linmin: converged after 18 iterations. iteration 12: trace = 0.9357237683382228 (3.74413e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9357236170895995 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974199 (7.21283e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444201 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256265997 (5.68311e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195184 (2.14495e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374905 (7.28878e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208447 (2.31528e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594689 (6.55918e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9357235226426152 (1.80115e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371334 (5.85828e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350291 (2.24887e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9357235226340188 (1.0797e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9357235226332389 (8.33507e-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: 0.18882417678833008 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9531656172624499 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298157 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933158 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170211 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123515988 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329512955 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910544 (0.000414304% change) linmin: converged after 37 iterations. iteration 8: trace = 0.9457908288630485 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833984333 (3.65265e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9457903738934199 (1.15781e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.945790328795686 (4.76826e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.9457903098667285 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332738 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373115 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.945790288982615 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358905 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788883 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821124 (1.02323e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902837614034 (2.1896e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 0.945790283757144 (4.5035e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9457902837561423 (1.05917e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 0.9457902837559192 (2.35828e-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: 0.17423462867736816 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564807534 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261611588 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908342476455 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141780657 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239667533 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036219 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978204 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452794952 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173619801 (0.000146413% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9752657982803837 (3.27174e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9752656737712277 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.9752655986569779 (7.70193e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9752655199382627 (8.07152e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9752654586051022 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667195 (2.28024e-06% change) linmin: converged after 12 iterations. iteration 16: trace = 0.9752654288851387 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617316 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193401 (4.53611e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923921 (1.30168e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.975265426457352 (3.59288e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 0.975265426446871 (1.07469e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9752654264434989 (3.4576e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9752654264424229 (1.10332e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 0.9752654264419838 (4.50229e-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: 0.18134737014770508 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525055 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395900786 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104007 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336762 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.01871807777816 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746532 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208275 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.01812238158558 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.01810814150193 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.018104688377168 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639177 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304866 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799626 (1.31131e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.018103254441728 (8.18757e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 1.018103204661021 (4.88955e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 1.018103175566668 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363211 (1.39509e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.018103152357125 (8.84595e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246921 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530307 (2.66831e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.018103143433505 (1.0773e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.018103143020115 (4.0604e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.01810314286882 (1.48605e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 1.018103142826692 (4.13788e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813699 (1.27623e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.018103142809129 (4.48821e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.018103142807085 (2.00845e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.018103142806048 (1.01851e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.018103142805605 (4.34884e-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: 0.21801042556762695 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748032 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914341 (1.00938% change) linmin: converged after 6 iterations. iteration 3: trace = 1.05982426496183 (0.605598% change) linmin: converged after 6 iterations. iteration 4: trace = 1.056454446691284 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208745 (0.12664% change) linmin: converged after 5 iterations. iteration 6: trace = 1.053973327355114 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526154095 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381323702 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219819068 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769632646 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103822104 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222792956 (0.000843361% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053042139517095 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.05303794112489 (0.000398693% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343144199 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079936007 (0.000119959% change) linmin: converged after 6 iterations. iteration 17: trace = 1.053033595937297 (4.59623e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.053033362151883 (2.22011e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 1.053033220626464 (1.34398e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053033136182073 (8.01916e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092857904 (4.11423e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069956103 (2.17484e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053033056567706 (1.27141e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 1.053033050087025 (6.1543e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 1.053033046930003 (2.99803e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 1.053033045492662 (1.36495e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.05303304471339 (7.40026e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 1.053033044195642 (4.91673e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811545 (3.64754e-08% change) linmin: converged after 18 iterations. iteration 30: trace = 1.053033043579941 (2.1994e-08% change) linmin: converged after 17 iterations. iteration 31: trace = 1.05303304346969 (1.04698e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429304 (3.83516e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.053033043415642 (1.29743e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.053033043410175 (5.19142e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407271 (2.75744e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.053033043404647 (2.49218e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.053033043402362 (2.17019e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.053033043401237 (1.06823e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 1.053033043400841 (3.75756e-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: 0.2914304733276367 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509203134 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374689317 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840608125 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07091642240455 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177231412 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467735 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105872 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288341139 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768367 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340382 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630062 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322818 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598674 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751934186257 (6.12325e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064751716375276 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473007 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763357 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444111 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065905 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775833 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427303 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29663e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656117 (3.92568e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064751580642666 (1.26326e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 1.06475158063819 (4.20419e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.064751580636454 (1.63038e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.06475158063571 (6.98405e-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: 0.11417198181152344 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 5 iterations. iteration 2: trace = 1.067759464050549 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847529 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692894 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102698 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517806 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128711 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.05394564271052 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348827 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373105 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053901410289624 (8.61871e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053901190385521 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722908 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329604 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.05390101638759 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.05390100229774 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619986 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524416 (5.681e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053900986366487 (1.49852e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053900986325057 (3.93111e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310452 (1.38576e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303702 (6.4045e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300588 (2.95469e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.053900986298909 (1.59365e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 1.053900986298104 (7.63534e-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: 0.2180647850036621 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 5 iterations. iteration 2: trace = 1.055450127301308 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005145 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423636178 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910739 (0.0067956% change) linmin: converged after 6 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 3 iterations. iteration 8: trace = 1.050735518700163 (0.00388965% change) linmin: converged after 4 iterations. iteration 9: trace = 1.050712406629326 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182168 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.050700527947597 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774884 (9.47152e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.050699177150715 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583426 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853782 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022336 (2.0778e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 1.050698989966912 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063517 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444911 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362368 (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 = 1.050698955164582 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.05069895459442 (5.4265e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368865 (2.14672e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52175e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.0506989540695 (1.32744e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980486 (8.47188e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 1.050698953945816 (3.29971e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935616 (9.70788e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 1.050698953931686 (3.74055e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.050698953929973 (1.6302e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.050698953929234 (7.03096e-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: 0.240004301071167 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873555 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.074888810319138 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358774 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664561 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074133138557719 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054055 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 5 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483325 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 3 iterations. iteration 17: trace = 1.074006542454387 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.07394170104624 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 9 iterations. iteration 19: trace = 1.073871054646401 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865047133 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051814073 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930253258 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951854511 (0.0019537% change) linmin: converged after 5 iterations. iteration 24: trace = 1.073746099951677 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549677794 (0.00182077% change) linmin: converged after 6 iterations. iteration 26: trace = 1.073706652691414 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048053079 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.07366480750308 (0.0019783% change) linmin: converged after 4 iterations. iteration 29: trace = 1.073643487581963 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933034567 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845331304 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422580545 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.07357033760148 (0.00149826% change) linmin: converged after 4 iterations. iteration 34: trace = 1.0735549642185 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629114168 (0.00142845% change) linmin: converged after 6 iterations. iteration 36: trace = 1.073523800559739 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.073507219134764 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489949996989 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300712646 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.07345460810302 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013911646 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.07341936402553 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253273459 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150275805 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.0733615442773 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086872033 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699872937 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605871434 (0.00243119% change) linmin: converged after 5 iterations. iteration 49: trace = 1.073261255734322 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183632931 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865371742 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643586995 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.07314873077758 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259226807 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094338585364 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.073068095041238 (0.00244563% change) linmin: converged after 4 iterations. iteration 57: trace = 1.073042682948385 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018272551503 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024616579 (0.00216662% change) linmin: converged after 5 iterations. iteration 60: trace = 1.072973064496317 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465224757 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243663793 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368241642 (0.00166605% change) linmin: converged after 6 iterations. iteration 64: trace = 1.072898773490337 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.07288337591944 (0.00143515% change) linmin: converged after 5 iterations. iteration 66: trace = 1.072869086998702 (0.00133183% change) linmin: converged after 5 iterations. iteration 67: trace = 1.072855821021881 (0.0012365% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843497553276 (0.00114867% change) linmin: converged after 3 iterations. iteration 69: trace = 1.072832039610928 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123251259 (0.0591056% change) linmin: converged after 15 iterations. iteration 71: trace = 1.07134711810174 (0.0794017% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541462572527 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830362633 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879029691 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565043349 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041212672 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034014 (0.00096077% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886834663 (0.000175603% change) linmin: converged after 6 iterations. iteration 79: trace = 1.069568934567785 (8.90327e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.069568397381151 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984274982 (3.86236e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172004 (1.87088e-05% change) linmin: converged after 5 iterations. iteration 83: trace = 1.069567559606812 (2.09959e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 1.069567395325959 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689911 (1.08115e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567202427513 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735025 (7.35741e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 1.069566990371064 (1.2469e-05% change) linmin: converged after 6 iterations. iteration 89: trace = 1.069566806433226 (1.71974e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 1.069566611503603 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.06956625836616 (3.30169e-05% change) linmin: converged after 7 iterations. iteration 92: trace = 1.069565649806643 (5.68978e-05% change) large trace change predicted (0.000165075%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887330695 (0.000164784% change) large trace change predicted (0.000584339%) linmin: converged after 5 iterations. iteration 94: trace = 1.069557815156878 (0.000567726% change) large trace change predicted (0.0061294%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531839644754 (0.00242865% change) linmin: converged after 9 iterations. iteration 96: trace = 1.069511580257867 (0.00189425% change) linmin: converged after 9 iterations. iteration 97: trace = 1.069496500451968 (0.00140998% change) linmin: converged after 6 iterations. iteration 98: trace = 1.069483717677052 (0.00119522% change) linmin: converged after 7 iterations. iteration 99: trace = 1.069471278223669 (0.00116313% change) linmin: converged after 6 iterations. iteration 100: trace = 1.06945923417496 (0.00112617% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448851327664 (0.000970855% change) linmin: converged after 7 iterations. iteration 102: trace = 1.069440423052233 (0.000788098% change) linmin: converged after 8 iterations. iteration 103: trace = 1.06943341629119 (0.000655182% change) linmin: converged after 6 iterations. iteration 104: trace = 1.069427351691511 (0.000567087% change) linmin: converged after 8 iterations. iteration 105: trace = 1.069421991950771 (0.00050118% change) linmin: converged after 6 iterations. iteration 106: trace = 1.069417237263017 (0.000444605% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413021661628 (0.000394197% change) linmin: converged after 7 iterations. iteration 108: trace = 1.069409271797955 (0.000350648% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405907926083 (0.000314555% change) linmin: converged after 7 iterations. iteration 110: trace = 1.069402856330468 (0.000285355% change) linmin: converged after 6 iterations. iteration 111: trace = 1.069400057690149 (0.000261702% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397467746005 (0.000242187% change) linmin: converged after 4 iterations. iteration 113: trace = 1.069395055147854 (0.000225604% change) linmin: converged after 5 iterations. iteration 114: trace = 1.069392795548008 (0.000211297% change) linmin: converged after 6 iterations. iteration 115: trace = 1.069390667986788 (0.000198951% change) linmin: converged after 5 iterations. iteration 116: trace = 1.069388651793125 (0.000188537% change) linmin: converged after 5 iterations. iteration 117: trace = 1.069386725485558 (0.000180132% change) linmin: converged after 6 iterations. iteration 118: trace = 1.069384867350977 (0.000173757% change) linmin: converged after 6 iterations. iteration 119: trace = 1.069383056347029 (0.00016935% change) linmin: converged after 5 iterations. iteration 120: trace = 1.069381273352052 (0.000166731% change) linmin: converged after 6 iterations. iteration 121: trace = 1.069379502575999 (0.000165589% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377732475111 (0.000165526% change) linmin: converged after 9 iterations. iteration 123: trace = 1.069375956296534 (0.000166095% change) linmin: converged after 6 iterations. iteration 124: trace = 1.069374172381471 (0.000166818% change) linmin: converged after 6 iterations. iteration 125: trace = 1.069372383543138 (0.000167279% change) linmin: converged after 6 iterations. iteration 126: trace = 1.069370596350157 (0.000167126% change) linmin: converged after 6 iterations. iteration 127: trace = 1.069368819614125 (0.000166148% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367063038153 (0.000164263% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365335794284 (0.00016152% change) linmin: converged after 5 iterations. iteration 130: trace = 1.069363645584814 (0.000158057% change) linmin: converged after 5 iterations. iteration 131: trace = 1.069361997825419 (0.000154088% change) linmin: converged after 8 iterations. iteration 132: trace = 1.069360395640989 (0.000149826% change) linmin: converged after 9 iterations. iteration 133: trace = 1.069358839926056 (0.000145481% change) linmin: converged after 10 iterations. iteration 134: trace = 1.069357329779302 (0.00014122% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355862957836 (0.000137169% change) linmin: converged after 5 iterations. iteration 136: trace = 1.069354436480057 (0.000133396% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353047073695 (0.00012993% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351691598919 (0.000126757% change) linmin: converged after 5 iterations. iteration 139: trace = 1.069350367291781 (0.000123842% change) resetting CG direction... large trace change predicted (0.0145455%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194672200936 (0.0145608% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117227180259 (0.00724357% change) linmin: converged after 5 iterations. iteration 142: trace = 1.069075433321993 (0.00390927% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028117437097 (0.00442597% change) linmin: converged after 4 iterations. iteration 144: trace = 1.068963768497982 (0.00601957% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914038466646 (0.00465228% change) linmin: converged after 5 iterations. iteration 146: trace = 1.068856701497523 (0.00536418% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655831527 (0.00524365% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757368858115 (0.00405013% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741209543 (0.00373869% change) linmin: converged after 5 iterations. iteration 150: trace = 1.06867892647319 (0.00360117% change) linmin: converged after 5 iterations. iteration 151: trace = 1.068654685720936 (0.00226832% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642738115688 (0.00111801% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637175261485 (0.000520555% change) linmin: converged after 9 iterations. iteration 154: trace = 1.068633793641155 (0.000316443% change) linmin: converged after 5 iterations. iteration 155: trace = 1.068631061597097 (0.000255658% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628610214573 (0.000229395% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627264705593 (0.00012591% change) linmin: converged after 4 iterations. iteration 158: trace = 1.068626757565474 (4.74572e-05% change) linmin: converged after 6 iterations. iteration 159: trace = 1.068626630672032 (1.18744e-05% change) linmin: converged after 8 iterations. iteration 160: trace = 1.068626598168096 (3.04166e-06% change) linmin: converged after 4 iterations. iteration 161: trace = 1.06862658350739 (1.37192e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572358528 (1.04329e-06% change) linmin: converged after 5 iterations. iteration 163: trace = 1.06862656282348 (8.92271e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.06862655553583 (6.81964e-07% change) linmin: converged after 5 iterations. iteration 165: trace = 1.068626551007521 (4.2375e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.068626547254211 (3.51227e-07% change) linmin: converged after 5 iterations. iteration 167: trace = 1.068626544996587 (2.11264e-07% change) linmin: converged after 5 iterations. iteration 168: trace = 1.068626543620605 (1.28762e-07% change) linmin: converged after 7 iterations. iteration 169: trace = 1.068626542445714 (1.09944e-07% change) linmin: converged after 9 iterations. iteration 170: trace = 1.06862654076488 (1.57289e-07% change) large trace change predicted (3.14977e-07%) linmin: converged after 24 iterations. iteration 171: trace = 1.068626537399951 (3.14884e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533718157 (3.44535e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 1.068626531658123 (1.92774e-07% change) linmin: converged after 6 iterations. iteration 174: trace = 1.068626530812102 (7.91691e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530492099 (2.99452e-08% change) linmin: converged after 9 iterations. iteration 176: trace = 1.068626530327507 (1.54022e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530253259 (6.94804e-09% change) linmin: converged after 7 iterations. iteration 178: trace = 1.068626530158072 (8.90737e-09% change) large trace change predicted (2.1289e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.068626529930754 (2.1272e-08% change) linmin: converged after 15 iterations. iteration 180: trace = 1.068626529548319 (3.57875e-08% change) linmin: converged after 6 iterations. iteration 181: trace = 1.068626528964314 (5.46501e-08% change) linmin: converged after 3 iterations. iteration 182: trace = 1.068626528417228 (5.11952e-08% change) linmin: converged after 4 iterations. iteration 183: trace = 1.068626527716322 (6.55895e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 1.06862652689721 (7.66509e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526186427 (6.65138e-08% change) linmin: converged after 15 iterations. iteration 186: trace = 1.068626525702615 (4.52742e-08% change) linmin: converged after 3 iterations. iteration 187: trace = 1.068626525445696 (2.4042e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378945 (6.24643e-09% change) linmin: converged after 3 iterations. iteration 189: trace = 1.068626525351855 (2.53498e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.068626525338215 (1.27644e-09% change) linmin: converged after 4 iterations. iteration 191: trace = 1.068626525323278 (1.39781e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309726 (1.26813e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303432 (5.88946e-10% change) linmin: converged after 3 iterations. iteration 194: trace = 1.068626525299555 (3.62876e-10% change) linmin: converged after 4 iterations. iteration 195: trace = 1.068626525299044 (4.77698e-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: 1.4375603199005127 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739714435 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277220374 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.07995725828511 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734912909 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252410888 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698395311 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218822376 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.07421373947036 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188248215 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233192 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731372 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.07411960845723 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350200927 (2.40435e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 1.074119193441737 (1.45942e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 1.074119086974316 (9.91207e-06% change) linmin: converged after 18 iterations. iteration 16: trace = 1.074118998457055 (8.24092e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 1.074118951618513 (4.36065e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564162 (1.96015e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698096 (7.32327e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920434621 (2.10728e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 1.074118919547732 (8.2569e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877308 (6.24162e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918119876 (7.05165e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268323 (7.92793e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472489 (7.40917e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915070731 (1.30503e-07% change) large trace change predicted (3.47228e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911341084 (3.47229e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899949536 (1.06055e-06% change) large trace change predicted (3.74502e-06%) linmin: converged after 3 iterations. iteration 29: trace = 1.074118859725554 (3.74484e-06% change) large trace change predicted (2.30121e-05%) linmin: converged after 5 iterations. iteration 30: trace = 1.074118613577724 (2.29163e-05% change) near maximum in trace linmin: converged after 13 iterations. iteration 31: trace = 1.074108654723984 (0.000927169% change) linmin: converged after 8 iterations. iteration 32: trace = 1.074107964424338 (6.42672e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 1.074107272412818 (6.44266e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.074106571471413 (6.52581e-05% change) linmin: converged after 8 iterations. iteration 35: trace = 1.074105852707999 (6.69174e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105109461725 (6.91968e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.0741043385726 (7.17704e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 1.074103540892071 (7.42647e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.074102721116606 (7.63219e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101886794994 (7.76762e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101046787423 (7.82056e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100209873489 (7.79176e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.074099384060022 (7.68842e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098576549985 (7.51802e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 1.074097793906102 (7.28652e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 1.074097041990257 (7.00044e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096325593049 (6.66976e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 1.074095647953676 (6.30893e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 1.07409501044025 (5.93535e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 1.074094412542477 (5.56653e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.074093852160968 (5.21725e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 1.074093326068317 (4.89801e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 1.07409283040426 (4.61472e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092361107019 (4.36924e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 1.074091914239057 (4.16042e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091486203431 (3.98509e-05% change) linmin: converged after 11 iterations. iteration 57: trace = 1.074091073868095 (3.83892e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 1.074090674622949 (3.71705e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090286370427 (3.61471e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089907515096 (3.52722e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.074089536896985 (3.45053e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089173728303 (3.38118e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088817519624 (3.31638e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088468010824 (3.254e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.074088125087727 (3.19269e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.074087788736017 (3.13151e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087458983267 (3.07007e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087135872057 (3.00824e-05% change) linmin: converged after 9 iterations. iteration 69: trace = 1.074086819424619 (2.9462e-05% change) resetting CG direction... large trace change predicted (0.00552481%) linmin: converged after 5 iterations. iteration 70: trace = 1.07402747251898 (0.00552549% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995041125 (0.00349365% change) linmin: converged after 12 iterations. iteration 72: trace = 1.073965817824879 (0.00224703% change) linmin: converged after 5 iterations. iteration 73: trace = 1.073953308448255 (0.00116479% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950635285913 (0.000248909% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949455745053 (0.000109832% change) linmin: converged after 3 iterations. iteration 76: trace = 1.07394884485721 (5.68824e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073948012638046 (7.74915e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947354176622 (6.13122e-05% change) linmin: converged after 8 iterations. iteration 79: trace = 1.073947064791119 (2.6946e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 1.073946950419187 (1.06497e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946903710584 (4.34925e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 1.073946874503159 (2.71963e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 1.073946857634503 (1.57072e-06% change) linmin: converged after 2 iterations. iteration 84: trace = 1.073946849036259 (8.00621e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946844676049 (4.05999e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.073946841259404 (3.18139e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946837676255 (3.33643e-07% change) large trace change predicted (7.24233e-07%) linmin: converged after 2 iterations. iteration 88: trace = 1.073946829898374 (7.24233e-07% change) large trace change predicted (1.47626e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946814044193 (1.47625e-06% change) large trace change predicted (4.35024e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946767325633 (4.35017e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 1.073946679145813 (8.21082e-06% change) linmin: converged after 13 iterations. iteration 92: trace = 1.07394653002807 (1.3885e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 1.073946367807594 (1.51051e-05% change) linmin: converged after 18 iterations. iteration 94: trace = 1.073946258178413 (1.02081e-05% change) linmin: converged after 8 iterations. iteration 95: trace = 1.073946152215409 (9.8667e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 1.073946055252216 (9.02868e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945953332349 (9.49022e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 1.073945869470469 (7.80876e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.073945843524601 (2.41594e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945837385287 (5.7166e-07% change) linmin: converged after 12 iterations. iteration 101: trace = 1.073945836402898 (9.14748e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 1.073945836058465 (3.20717e-08% change) linmin: converged after 24 iterations. iteration 103: trace = 1.073945835877968 (1.68069e-08% change) linmin: converged after 19 iterations. iteration 104: trace = 1.073945835763839 (1.06271e-08% change) linmin: converged after 6 iterations. iteration 105: trace = 1.073945835716336 (4.42319e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 1.073945835701639 (1.36856e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 1.073945835696723 (4.57737e-10% change) linmin: converged after 3 iterations. iteration 108: trace = 1.07394583569429 (2.26522e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 1.073945835692681 (1.49795e-10% change) linmin: converged after 2 iterations. iteration 110: trace = 1.07394583569145 (1.14687e-10% change) linmin: converged after 9 iterations. iteration 111: trace = 1.073945835690716 (6.83328e-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: 0.8208019733428955 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863490315585 (5.33663% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777229324 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328696786045 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255370176 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171401586 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695702394 (0.00739312% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058822981 (0.005548% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074864563442296 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338420812 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012959476 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426045968 (5.46042e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 1.074849271426672 (1.43852e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.074849229309185 (3.91846e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215182561 (1.31429e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211845827 (3.10437e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.07484921073603 (1.03251e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209962486 (7.19677e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209021715 (8.75259e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.0748492077767 (1.15832e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206719139 (9.83915e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205577648 (1.062e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203573379 (1.8647e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200248625 (3.09323e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195285907 (4.61713e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189786891 (5.11608e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.074849181228871 (7.96207e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.074849167025669 (1.32141e-06% change) linmin: converged after 19 iterations. iteration 28: trace = 1.074849153567851 (1.25207e-06% change) linmin: converged after 13 iterations. iteration 29: trace = 1.074849145742755 (7.28018e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.074849142292309 (3.21017e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247114 (1.90277e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.074849138714339 (1.42604e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.074849137906284 (7.51785e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608583 (2.7697e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533781 (6.9593e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 1.074849137516844 (1.57571e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512895 (3.67427e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849137511867 (9.56888e-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: 0.2863023281097412 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946613439 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.07523533785071 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839444135 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825211994 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827452753 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993301281 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691969381 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266694636 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251702914 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631926145 (0.000803815% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311747915 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215294225 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360457624 (7.97164e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.072346902144856 (4.27392e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.072346623506356 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159297625 (4.32891e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.07234506891175 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995678537 (0.000193337% change) linmin: converged after 8 iterations. iteration 19: trace = 1.072339903847402 (0.000288325% change) linmin: converged after 26 iterations. iteration 20: trace = 1.072336586525834 (0.000309354% change) linmin: converged after 6 iterations. iteration 21: trace = 1.072331067862006 (0.00051464% change) linmin: converged after 7 iterations. iteration 22: trace = 1.072320822253961 (0.000955457% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842032951 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271287299 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565976 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606951 (8.01046e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653387 (2.17247e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014168804 (6.01369e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.072295982383637 (2.96422e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 1.072295961925382 (1.90789e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 1.072295950654617 (1.05109e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072295945181011 (5.10457e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072295942506064 (2.4946e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839723 (1.55399e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001731 (7.81494e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.07229593966661 (3.12526e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 1.072295939534591 (1.23118e-08% change) linmin: converged after 4 iterations. iteration 38: trace = 1.072295939489802 (4.17697e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475881 (1.29825e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471383 (4.19449e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.07229593946885 (2.36189e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464572 (3.98949e-10% change) large trace change predicted (1.11338e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452633 (1.1134e-09% change) large trace change predicted (2.51388e-09%) linmin: converged after 4 iterations. iteration 44: trace = 1.072295939425684 (2.51324e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939386053 (3.69592e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 1.072295939340147 (4.28109e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 1.072295939279214 (5.68252e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 1.072295939194631 (7.88797e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 1.07229593910162 (8.67406e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.072295939034323 (6.2759e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004894 (2.74454e-09% change) linmin: converged after 2 iterations. iteration 52: trace = 1.072295938995438 (8.81804e-10% change) linmin: converged after 6 iterations. iteration 53: trace = 1.072295938992633 (2.61659e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991746 (8.26846e-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: 0.40185546875 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07340121849938 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358178133 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901350898 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.0695535124672 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.06933108728176 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782233 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139982171 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147439 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651599 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122787 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978800309365 (0.000490824% change) linmin: converged after 5 iterations. iteration 12: trace = 1.068976671400489 (0.000199154% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976061675592 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503293 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616362 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300797 (5.73592e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 1.068975611585373 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394309 (1.00275e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.068975371946318 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238400299 (1.24929e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 1.068975009008141 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 5 iterations. iteration 22: trace = 1.068974441379314 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230352277 (0.000113289% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971612251912 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673722007 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061966 (3.53293e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 1.068970144206145 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06897006461748 (7.44536e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.068970000607662 (5.98799e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 1.068969962460882 (3.56855e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599884 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463743 (6.67572e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705124 (3.51611e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 1.06896993232558 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392088 (8.73263e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 1.068969931132226 (2.43096e-08% change) linmin: converged after 15 iterations. iteration 37: trace = 1.068969931062233 (6.54774e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.068969931043938 (1.71147e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038531 (5.05773e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.068969931036688 (1.72365e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 1.06896993103593 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.3060605525970459 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.072100871029735 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625144617 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623571927 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371541936 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421656347 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514099866 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840017269 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016821789 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593732184 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587638911 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443671997326 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721217859 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849484829 (8.17423e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.066439375223672 (4.44714e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.066439009920906 (3.42544e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.066438547198133 (4.33895e-05% change) linmin: converged after 24 iterations. iteration 17: trace = 1.066438083375613 (4.34927e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.066437660398672 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091982246 (5.33005e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003245269 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433061003442 (0.000275895% change) linmin: converged after 5 iterations. iteration 22: trace = 1.066427934766565 (0.000480691% change) linmin: converged after 30 iterations. iteration 23: trace = 1.066424326691444 (0.000338333% change) linmin: converged after 7 iterations. iteration 24: trace = 1.066422960618152 (0.000128099% change) linmin: converged after 5 iterations. iteration 25: trace = 1.066422499825244 (4.32092e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186811657 (2.93517e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.066421890528896 (2.77829e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.066421685763468 (1.92012e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 1.06642159054965 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709045 (3.07951e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618768 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040984 (6.16809e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.066421533956409 (2.89245e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545984 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098628 (4.19493e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981 (1.10302e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947815 (3.11181e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934532 (1.24558e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923697 (1.01596e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 1.066421531913855 (9.22953e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.066421531908571 (4.95468e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 1.066421531906717 (1.7388e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 1.066421531906148 (5.32821e-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: 0.3212289810180664 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773604965 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570080581 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947074816 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964052161 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396938137 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989622728 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335051292 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062406794 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443696535 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.06470578433643 (0.000343696% change) linmin: converged after 5 iterations. iteration 11: trace = 1.064703064048174 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652735597 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182191319 (4.4195e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700943606627 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802696047 (1.32348e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.064700694081259 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636609229 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617118281 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610394363 (6.31531e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607865834 (2.37487e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605636452 (2.0939e-07% change) large trace change predicted (4.79935e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600526578 (4.79935e-07% change) large trace change predicted (1.42418e-06%) linmin: converged after 4 iterations. iteration 23: trace = 1.064700585363382 (1.42417e-06% change) large trace change predicted (2.97957e-06%) linmin: converged after 4 iterations. iteration 24: trace = 1.064700553640431 (2.97952e-06% change) linmin: converged after 18 iterations. iteration 25: trace = 1.064700526786951 (2.52216e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508731266 (1.69585e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073484 (1.7524e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 1.064700466708247 (2.19454e-06% change) linmin: converged after 23 iterations. iteration 29: trace = 1.06470044669203 (1.87999e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159573 (8.01395e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712854 (3.23727e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874727 (9.96233e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.064700431313316 (5.27295e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 1.064700431122882 (1.78862e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069202 (5.04181e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049594 (1.84165e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14146e-09% change) linmin: converged after 5 iterations. iteration 39: trace = 1.064700431026589 (1.01925e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.064700431020416 (5.79772e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 1.064700431018628 (1.67884e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.064700431018217 (3.86445e-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: 0.3134331703186035 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350256857 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.06900862671002 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244974187 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593269694 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127996658 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659752063 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318744432 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.06567551063221 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170315328 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512596607 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557365696 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856809688 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821687861 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533865889772 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310009858 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898642685 (3.86067e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.065532683276369 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562796837 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.065532411951178 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110051103 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537832729 (5.37026e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 1.06553095730435 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503254396 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.06552984864104 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 4 iterations. iteration 25: trace = 1.065528002343178 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574731398 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645935353 (0.00299659% change) linmin: converged after 9 iterations. iteration 28: trace = 1.065452554316755 (0.00319968% change) linmin: converged after 6 iterations. iteration 29: trace = 1.065430694066201 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520878208 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511944419 (0.000657859% change) linmin: converged after 5 iterations. iteration 32: trace = 1.06540762492902 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106257257 (0.000236405% change) linmin: converged after 3 iterations. iteration 34: trace = 1.065404017240623 (0.000102216% change) linmin: converged after 3 iterations. iteration 35: trace = 1.065403611191832 (3.81122e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 1.065403441828811 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323932342 (1.10659e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.065403209115777 (1.07768e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403107365718 (9.55038e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403054387964 (4.97255e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 1.06540303601522 (1.72449e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.065403029075787 (6.51344e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.065403024644487 (4.15927e-07% change) linmin: converged after 6 iterations. iteration 44: trace = 1.065403021192306 (3.24026e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018976769 (2.07953e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018006529 (9.10678e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.065403017544304 (4.3385e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.06540301707721 (4.3842e-08% change) large trace change predicted (8.98853e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.06540301611957 (8.98853e-08% change) large trace change predicted (2.34697e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013619096 (2.34697e-07% change) large trace change predicted (5.60932e-07%) linmin: converged after 12 iterations. iteration 51: trace = 1.065403007642869 (5.60936e-07% change) linmin: converged after 18 iterations. iteration 52: trace = 1.065402998323143 (8.74761e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266674 (1.13163e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 1.065402969177869 (1.60398e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 1.065402943673377 (2.39388e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 1.065402909801003 (3.1793e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.065402880544193 (2.74608e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.065402867305791 (1.24257e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588597 (4.42762e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.065402860542621 (1.92038e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.065402859235889 (1.22651e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 1.065402858140635 (1.02802e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385874 (7.08428e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.06540285703715 (3.27316e-08% change) linmin: converged after 2 iterations. iteration 65: trace = 1.065402856879938 (1.47562e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.065402856783457 (9.05579e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 1.065402856698865 (7.9399e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628627 (6.59263e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 1.065402856591383 (3.49579e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.06540285657846 (1.21295e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572683 (5.42313e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 1.065402856570917 (1.65731e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570141 (7.28406e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5412063598632812 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.06565298387963 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445111979978 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314062055384 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800076256362 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864883583945 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934076593912 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590166729623 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293109642 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369605698 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196272982 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733298897283 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686885986062 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.05764371821719 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094475249 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169298974 (0.0025459% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843552251 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897774382 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493137504 (0.000416493% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622003613 (0.000271489% change) linmin: converged after 4 iterations. iteration 20: trace = 1.057546213279662 (0.000133207% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647265979 (5.35214e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 1.057545445060888 (1.91202e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 1.057545346459599 (9.3236e-06% change) linmin: converged after 22 iterations. iteration 24: trace = 1.057545294682111 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741628 (2.16922e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.05754526291091 (8.3502e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634118 (2.1529e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259833977 (7.56602e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398516 (4.11766e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.057545259108179 (2.74538e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 1.057545258933642 (1.6504e-08% change) linmin: converged after 9 iterations. iteration 32: trace = 1.057545258873732 (5.66495e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.05754525885484 (1.78642e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26139e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839642 (6.1099e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02886e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.057545258828682 (4.33446e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.057545258826096 (2.44543e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824421 (1.58396e-10% change) linmin: converged after 8 iterations. iteration 40: trace = 1.057545258822975 (1.36685e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821915 (1.00278e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821418 (4.69266e-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: 0.31374192237854004 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386852736 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940322 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979265 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822298 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219851 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455330029 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239812 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091036 (0.000413079% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04874197370127 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692948 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995077 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.04873813839741 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057088 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547413 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.04873784730365 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461937 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857728 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475256 (1.46676e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 1.048737774176587 (1.55412e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.048737760567198 (1.29769e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.048737751887526 (8.2763e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.048737748311013 (3.4103e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988579 (1.26098e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414591 (5.47313e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162667 (2.40217e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.048737746020625 (1.35441e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965863 (5.2217e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951456 (1.37376e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947919 (3.37258e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.048737745947215 (6.70747e-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: 0.22531628608703613 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320366995 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363743 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155701 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278532945 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545319 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330403 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368565 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612347 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.0420628870474 (0.000351376% change) linmin: converged after 6 iterations. iteration 10: trace = 1.042059736967608 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339037 (0.000268471% change) linmin: converged after 4 iterations. iteration 12: trace = 1.042055775662489 (0.000111671% change) linmin: converged after 4 iterations. iteration 13: trace = 1.042055457699151 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980323 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.04205532229387 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547835 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398348 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630022 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138575 (2.3503e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018135 (1.30175e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 1.042055201090035 (5.68885e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.042055199094494 (1.91501e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88297e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41908e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.042055197991545 (1.2823e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924896 (6.39597e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900918 (2.30098e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055197891543 (8.99723e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.042055197887333 (4.03963e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.042055197884503 (2.71553e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.042055197882747 (1.68528e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 1.042055197882128 (5.94716e-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: 0.2472822666168213 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142558 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444511 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501656240105 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296697 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983601 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782759 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.03937784008029 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607829 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584078 (0.000657998% change) linmin: converged after 6 iterations. iteration 10: trace = 1.039358797682165 (0.000661165% change) linmin: converged after 6 iterations. iteration 11: trace = 1.039351522033681 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030266 (0.000363593% change) linmin: converged after 5 iterations. iteration 13: trace = 1.039346603568448 (0.000109632% change) linmin: converged after 4 iterations. iteration 14: trace = 1.039346252826993 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663298 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166342 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762957 (4.27224e-06% change) linmin: converged after 22 iterations. iteration 18: trace = 1.039346002477106 (5.22308e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.039345931774669 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606866 (6.55872e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 26 iterations. iteration 22: trace = 1.039345749422766 (4.61231e-06% change) linmin: converged after 21 iterations. iteration 23: trace = 1.039345724079955 (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 = 1.039345701605026 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151121 (6.20958e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769053 (1.14913e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.66852e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103322 (1.73677e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69117e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 1.03934569001156 (2.13769e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005518 (5.81375e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.039345690002444 (2.95762e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999081 (3.23535e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.039345689993936 (4.95044e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.039345689988246 (5.47407e-10% change) linmin: converged after 13 iterations. iteration 38: trace = 1.03934568998542 (2.71941e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 1.039345689984554 (8.33191e-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: 0.2918069362640381 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720368 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539336 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793082598 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04164114766723 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682081 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029144806 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957213918 (0.00250307% change) linmin: converged after 6 iterations. iteration 8: trace = 1.041547309521649 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 5 iterations. iteration 9: trace = 1.041457030682496 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060954174 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698681648 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772942722 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951208303 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073106853 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096986996 (0.000958419% change) linmin: converged after 5 iterations. iteration 16: trace = 1.040884173753158 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.0408818572946 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419144 (0.000166001% change) linmin: converged after 5 iterations. iteration 19: trace = 1.04087884692961 (0.000123212% change) linmin: converged after 5 iterations. iteration 20: trace = 1.04087828210478 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081421 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535576 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748251 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.040877888402689 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210208 (8.83147e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 1.040877831116786 (2.94841e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 1.040877780705328 (4.84317e-06% change) linmin: converged after 11 iterations. iteration 30: trace = 1.040877720799277 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373098 (5.22887e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834634 (2.83784e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021429 (8.46709e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968428 (2.9331e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448756 (1.45999e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408063 (9.99823e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570066 (8.05087e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 1.040877621105911 (4.45927e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899616 (1.98193e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810224 (8.58814e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768347 (4.02326e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.04087762074264 (2.46972e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 1.04087762072244 (1.94065e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697845 (2.36293e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.040877620655492 (4.06899e-09% change) large trace change predicted (8.316e-09%) linmin: converged after 23 iterations. iteration 46: trace = 1.040877620568931 (8.31613e-09% change) linmin: converged after 25 iterations. iteration 47: trace = 1.040877620412678 (1.50117e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.040877620260928 (1.4579e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04054e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.040877620163349 (2.33417e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156028 (7.03331e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153325 (2.59658e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 1.040877620151857 (1.41007e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150956 (8.66524e-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: 0.40157604217529297 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695% total elapsed time for run: 10.702596664428711 done /tmp/meepfwWQZ2/test_diamond-0: 10.71s /tmp/meepfwWQZ2/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: 0.0024673938751220703 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 = 6.706692165762185 (76.4722% change) linmin: converged after 5 iterations. iteration 3: trace = 5.931553794782948 (12.2665% change) linmin: converged after 5 iterations. iteration 4: trace = 5.6626353420037 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.527372289713447 (2.41757% change) linmin: converged after 9 iterations. iteration 6: trace = 5.474817264686457 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710787579 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006417282 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735002818 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793421508 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.4326292019378 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964487992 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964019358 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252890605 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096366349 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783177259 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499317009 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004383361 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213034 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232372 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533288641 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261772 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414579782587724 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159788051 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.41453770936717 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428772 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097875 (0.000191565% change) linmin: converged after 5 iterations. iteration 28: trace = 5.414506000595689 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958568 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822161 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585159968 (0.000143553% change) linmin: converged after 4 iterations. iteration 32: trace = 5.414473688675649 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062535 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517081 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896522 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684608 (1.16746e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.414470802007637 (5.29636e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 5.414470781361678 (3.81311e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 5.414470762077166 (3.56166e-07% change) linmin: converged after 20 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667675 (3.45714e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127531 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366221 (2.35689e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 5.414470683200209 (1.87756e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912604 (1.53064e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970536 (9.12752e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695277 (4.20218e-08% change) linmin: converged after 3 iterations. iteration 48: trace = 5.414470666815672 (1.62454e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 5.414470666454856 (6.66391e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309422 (2.68604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257191 (9.64641e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225628 (5.82941e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199074 (4.90424e-10% change) linmin: converged after 16 iterations. iteration 54: trace = 5.414470666173623 (4.70067e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 5.414470666149845 (4.39146e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 5.414470666128747 (3.89656e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 5.414470666110463 (3.37688e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093909 (3.0575e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 5.41447066608077 (2.42661e-10% change) linmin: converged after 6 iterations. iteration 60: trace = 5.414470666072175 (1.58739e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 5.414470666068269 (7.21439e-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: 0.16344618797302246 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.41403420081913 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431346 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235943 (0.116695% change) linmin: converged after 8 iterations. iteration 4: trace = 5.385733021260244 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764185888 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308347506 (0.00507812% change) linmin: converged after 3 iterations. iteration 7: trace = 5.384742385264802 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.384707331033317 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.38469712543302 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738827012 (4.4322e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.384693738418333 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474304 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290619 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19546e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.384693227539165 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657309 (9.06617e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.384693220298978 (4.37969e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.384693219444983 (1.58597e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 5.384693219150676 (5.46564e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100488 (9.32038e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.384693219085559 (2.77256e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.384693219081504 (7.52974e-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: 0.07848477363586426 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708016967 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.34722213506751 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037295 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997323115 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076779406 (0.0019817% change) linmin: converged after 3 iterations. iteration 6: trace = 5.344849146440733 (0.000559983% change) linmin: converged after 22 iterations. iteration 7: trace = 5.344835115273662 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084766 (9.83976e-05% change) linmin: converged after 10 iterations. iteration 9: trace = 5.344828194804581 (3.1082e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.34482778191428 (7.72504e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 5.344827673972688 (2.01955e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.344827628371226 (8.53189e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34482761778566 (1.98053e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.344827614523979 (6.1025e-08% change) linmin: converged after 15 iterations. iteration 15: trace = 5.344827613901673 (1.16431e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.344827613761431 (2.62389e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731026 (5.68868e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.344827613719946 (2.07304e-10% change) linmin: converged after 7 iterations. iteration 19: trace = 5.344827613715932 (7.50946e-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: 0.06802821159362793 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320235624 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355250337 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635047892 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678894591 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699653032 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391909682 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504789 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683688 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811745 (2.36636e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 5.332538862039456 (3.91506e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 5.332538810551377 (9.65545e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.332538790057334 (3.84321e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.332538782348786 (1.44557e-07% change) linmin: converged after 11 iterations. iteration 14: trace = 5.332538778533824 (7.15412e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.33253877716299 (2.5707e-08% change) linmin: converged after 26 iterations. iteration 16: trace = 5.332538776748035 (7.78157e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.332538776643096 (1.9679e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.33253877660365 (7.39719e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.332538776587458 (3.03652e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581433 (1.12976e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.332538776580064 (2.56833e-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: 0.07495951652526855 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432914471 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.35681496597751 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997895033 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701676444 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600391805 (0.00848364% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473034 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551781 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977405 (0.000377464% change) linmin: converged after 3 iterations. iteration 9: trace = 5.352160538189254 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103698383 (8.28543e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779187 (4.54194e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.352152330741596 (2.50747e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.35215188575005 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938054 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468186 (9.42983e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.352151666678834 (2.76325e-07% change) linmin: converged after 16 iterations. iteration 17: trace = 5.352151661664975 (9.36793e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840976 (3.40797e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.35215165933784 (9.40062e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154265 (3.42994e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.352151659081809 (1.35377e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049177 (6.09693e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.352151659038401 (2.01345e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035264 (5.86128e-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: 0.08507776260375977 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214230133 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985673 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869995439 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420763032 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128030709 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882337 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031405 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374350685 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794407 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587783547 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343263 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.3782175387905 (0.000383575% change) linmin: converged after 6 iterations. iteration 13: trace = 5.378209482090192 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014855 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789658 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.378205024912403 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150022 (3.11672e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.378205002382006 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047539 (9.91868e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784511 (7.92649e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.378204989224097 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266805 (3.6393e-08% change) linmin: converged after 17 iterations. iteration 26: trace = 5.378204986560163 (1.3139e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 5.378204986365555 (3.61845e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 5.378204986298523 (1.24636e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.378204986252788 (8.50376e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.37820498622292 (5.55363e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206847 (2.98845e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199393 (1.38605e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.378204986194201 (9.65267e-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: 0.11600470542907715 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784984 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.29404612333864 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234180934 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119399746 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824734812 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018346 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590548 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052713 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428478 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890185 (0.000117924% change) linmin: converged after 3 iterations. iteration 11: trace = 5.280992817488488 (4.23102e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892319 (1.6315e-05% change) linmin: converged after 8 iterations. iteration 13: trace = 5.280991779814332 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376504 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857131 (2.18129e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.280991716887279 (5.62366e-08% change) linmin: converged after 28 iterations. iteration 17: trace = 5.280991715662336 (2.31953e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.280991715170658 (9.31033e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.280991714932153 (4.5163e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.280991714863475 (1.30047e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843208 (3.83779e-10% change) linmin: converged after 7 iterations. iteration 22: trace = 5.280991714835511 (1.45748e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829545 (1.12969e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.280991714822687 (1.29872e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.28099171481807 (8.74221e-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: 0.0886533260345459 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281905371 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367542724 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.122357731850104 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238796 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726682798 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069779 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740887 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676667 (0.000159839% change) linmin: converged after 6 iterations. iteration 9: trace = 5.121437287250298 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310326 (9.33215e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.121436715075805 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.1214366855107 (5.77281e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.121436680112657 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590915 (2.97132e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180302 (8.01753e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101738 (1.53404e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.1214366780824 (3.77578e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.121436678073881 (1.66348e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060031 (2.7042e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.121436678042873 (3.35037e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033497 (1.83066e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.121436678029987 (6.8537e-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: 0.07827091217041016 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457157 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163390585 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812258216 (0.0144763% change) linmin: converged after 4 iterations. iteration 4: trace = 4.989343647112834 (0.00341051% change) linmin: converged after 3 iterations. iteration 5: trace = 4.989291241668816 (0.00105035% change) linmin: converged after 5 iterations. iteration 6: trace = 4.989274244813382 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671027 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922126 (3.38677e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.989265604082178 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.989265515601312 (1.77342e-06% change) linmin: converged after 19 iterations. iteration 11: trace = 4.989265501206923 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708839 (9.01552e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.989265495704011 (2.01398e-08% change) linmin: converged after 21 iterations. iteration 14: trace = 4.989265495448894 (5.11331e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 4.989265495393171 (1.11687e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 4.989265495383631 (1.91209e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381124 (5.02366e-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: 0.061252593994140625 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536844211 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118934637 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641584239 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816827293 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084889064 (0.000504114% change) linmin: converged after 14 iterations. iteration 6: trace = 4.90600738959164 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953579 (3.16885e-05% change) linmin: converged after 21 iterations. iteration 8: trace = 4.906005406698485 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385232 (3.10463e-06% change) linmin: converged after 18 iterations. iteration 10: trace = 4.906005216417528 (7.73903e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.906005209418575 (1.42661e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.906005206803123 (5.33112e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252121 (1.12312e-08% change) linmin: converged after 15 iterations. iteration 14: trace = 4.906005206142125 (2.24206e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.906005206125053 (3.47993e-10% change) linmin: converged after 8 iterations. iteration 16: trace = 4.906005206120705 (8.86186e-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: 0.05785489082336426 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825184451 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626561798 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752866675 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496002 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932666951 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735246 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798982 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093842 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075416 (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 = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070434 (2.49875e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.877776571775754 (6.04129e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.877776571718371 (1.17641e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 4.877776571708919 (1.93777e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.877776571705258 (7.50562e-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: 0.05745410919189453 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026457 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880211 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362581 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668675 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539686 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844871 (1.02794e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.933541212739493 (1.23752e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751461 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.933541210308102 (8.98663e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.933541210231291 (1.55691e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.933541210216972 (2.90242e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.93354121021467 (4.66634e-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: 0.05755329132080078 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.09950711216279 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310897 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632202 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562915948 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953231 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324336 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 5 iterations. iteration 8: trace = 5.086793518222221 (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 = 5.086789203381458 (1.60821e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.08678904552023 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806468 (1.05595e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.086788981872509 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939783 (3.7995e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.086788979425329 (1.01135e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.086788979343621 (1.60628e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.086788979319499 (4.7421e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.086788979306894 (2.47799e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.086788979301443 (1.07155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.086788979299675 (3.47464e-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: 0.07119226455688477 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730342 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324799 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134993 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364312 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518456 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149962 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537655 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730882 (0.00274585% change) linmin: converged after 6 iterations. iteration 9: trace = 5.263272539866859 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021758 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625349 (1.82199e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.263256607031205 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248049 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468796 (3.94798e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.263256521693531 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415705 (3.65701e-08% change) linmin: converged after 18 iterations. iteration 19: trace = 5.263256512765319 (1.23571e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.263256512526155 (4.54404e-09% change) linmin: converged after 17 iterations. iteration 21: trace = 5.263256512381847 (2.74179e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.263256512319999 (1.1751e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.263256512296811 (4.40558e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.263256512290631 (1.17434e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.263256512288835 (3.41214e-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: 0.08849930763244629 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127255 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224942905 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703693424 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157768965 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246647 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245635 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967524 (0.00155035% change) linmin: converged after 12 iterations. iteration 8: trace = 5.36296230885997 (0.000888779% change) linmin: converged after 5 iterations. iteration 9: trace = 5.362928148997674 (0.000636961% change) linmin: converged after 3 iterations. iteration 10: trace = 5.362908167194895 (0.000372592% change) linmin: converged after 3 iterations. iteration 11: trace = 5.362897445562917 (0.000199922% change) linmin: converged after 10 iterations. iteration 12: trace = 5.36289083229464 (0.000123315% change) linmin: converged after 11 iterations. iteration 13: trace = 5.362888873060142 (3.65332e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.362888159902996 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137234 (4.19113e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 5.362887877004615 (1.08398e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.362887858604033 (3.4311e-07% change) linmin: converged after 19 iterations. iteration 18: trace = 5.362887851988788 (1.23352e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.362887849877572 (3.93671e-08% change) linmin: converged after 8 iterations. iteration 20: trace = 5.362887849213489 (1.23829e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 5.362887849013022 (3.73805e-09% change) linmin: converged after 22 iterations. iteration 22: trace = 5.362887848952667 (1.12542e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922164 (5.68774e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904127 (3.36332e-10% change) linmin: converged after 16 iterations. iteration 25: trace = 5.362887848892482 (2.17139e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.362887848885797 (1.24659e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.362887848881173 (8.62195e-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: 0.09578490257263184 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864450057 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.432871450760013 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.42268849791254 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175639966 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105681037619 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295320584 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173547 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037634 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483996364 (0.000992868% change) linmin: converged after 3 iterations. iteration 10: trace = 5.414576265050929 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861069105 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419970065 (0.000174365% change) linmin: converged after 17 iterations. iteration 13: trace = 5.414537376508578 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.414500553000028 (0.000680088% change) linmin: converged after 7 iterations. iteration 15: trace = 5.414478702494632 (0.000403556% change) linmin: converged after 5 iterations. iteration 16: trace = 5.414472728543718 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.4144713305419 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198768 (8.98228e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354928 (2.30574e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.41447068131429 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480572 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611978 (5.29801e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661455 (1.75552e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362712 (5.51748e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267753 (1.75381e-09% change) linmin: converged after 14 iterations. iteration 26: trace = 5.414470666221955 (8.45829e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.414470666193713 (5.21608e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171704 (4.06486e-10% change) linmin: converged after 13 iterations. iteration 29: trace = 5.414470666155404 (3.01042e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140535 (2.74616e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414470666122158 (3.39411e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.414470666102798 (3.57553e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086904 (2.93562e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414470666075434 (2.11822e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.414470666069082 (1.1732e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 5.414470666066688 (4.42246e-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: 0.09720945358276367 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% total elapsed time for run: 1.342710256576538 done /tmp/meepfwWQZ2/test_epsilon_input_file-0: 1.34s /tmp/meepfwWQZ2/test_first_brillouin_zone-0 ======================== /tmp/meepfwWQZ2/test_first_brillouin_zone-0: 0.12s /tmp/meepfwWQZ2/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: 0.00020003318786621094 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 54.7945%) 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: 0.001672506332397461 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: 0.0012564659118652344 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: 0.00021576881408691406 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: 0.0002300739288330078 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: 0.00020837783813476562 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: 0.0005536079406738281 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 64.0625%) 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: 0.0004470348358154297 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: 0.0002086162567138672 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 57.5758%) 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: 0.00024199485778808594 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 56%) 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: 0.00024080276489257812 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: 0.0005156993865966797 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: 0.000213623046875 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 51.5464%) 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: 0.00023627281188964844 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 54.3478%) 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: 0.00023436546325683594 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 52.6316%) 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: 0.0002353191375732422 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: 0.0001862049102783203 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: 0.007467985153198242 done /tmp/meepfwWQZ2/test_fractional_lattice-0: 0.01s /tmp/meepfwWQZ2/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: 0.0016231536865234375 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14043474197387695 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4204244613647461 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09200024604797363 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08525991439819336 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09900951385498047 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15377473831176758 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11616396903991699 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09895563125610352 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08506107330322266 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08174657821655273 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08140110969543457 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06463861465454102 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07470130920410156 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10236477851867676 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11976885795593262 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2473926544189453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.065225839614868 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepfwWQZ2/test_get_bfield-0: 2.07s /tmp/meepfwWQZ2/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: 0.0016138553619384766 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.13953685760498047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4201388359069824 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09201431274414062 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08541345596313477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10331463813781738 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.16702008247375488 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11595845222473145 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09902572631835938 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08508753776550293 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08169722557067871 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08141636848449707 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06467270851135254 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07470273971557617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10232925415039062 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12115812301635742 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24813151359558105 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0839271545410156 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 ./tmp/meepfwWQZ2/test_get_dfield-0: 2.09s /tmp/meepfwWQZ2/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: 0.0016412734985351562 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1396181583404541 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4200096130371094 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0918722152709961 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08554220199584961 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09876179695129395 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15453243255615234 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11581945419311523 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09884333610534668 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0849454402923584 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08177328109741211 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08128762245178223 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06454658508300781 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07466650009155273 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10218501091003418 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11966657638549805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24756598472595215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.06377911567688 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepfwWQZ2/test_get_efield-0: 2.07s /tmp/meepfwWQZ2/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: 0.0016226768493652344 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.13958740234375 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 = 5.581244026696582 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490526 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526946 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966812 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299298 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122106 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56769679186448 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484449 (0.00159761% change) linmin: converged after 4 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766407 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307059 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.56740979639377 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003683 (1.09636e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 5.567408898969297 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891888 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106272 (9.6608e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567408704724673 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925327 (1.58051e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.567408689562775 (1.14282e-07% change) linmin: converged after 20 iterations. iteration 22: trace = 5.567408680883096 (1.55902e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.567408666017618 (2.67009e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087335 (3.75943e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756644 (5.4479e-07% change) large trace change predicted (2.01094e-06%) linmin: converged after 4 iterations. iteration 26: trace = 5.567408502814525 (2.01067e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934810359823 (0.00850867% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934505159929 (5.48237e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 5.566934199943775 (5.48266e-06% change) linmin: converged after 7 iterations. iteration 30: trace = 5.56693389481052 (5.48117e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.566933589846162 (5.47814e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933285124756 (5.47377e-06% change) linmin: converged after 9 iterations. iteration 33: trace = 5.566932980709135 (5.46828e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932676621887 (5.46238e-06% change) linmin: converged after 15 iterations. iteration 35: trace = 5.566932372966671 (5.45462e-06% change) linmin: converged after 7 iterations. iteration 36: trace = 5.566932069727256 (5.44715e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.56693176697333 (5.43843e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693146470438 (5.42972e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931162934921 (5.42075e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930861654382 (5.41197e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.566930560905994 (5.40241e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930260670055 (5.3932e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566929960942561 (5.38407e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.566929661716138 (5.37507e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929362952369 (5.36676e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929064694512 (5.35767e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928766875275 (5.34979e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928469525604 (5.34136e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.56692817259577 (5.33382e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.56692787607921 (5.32639e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692757994756 (5.31948e-06% change) linmin: converged after 7 iterations. iteration 52: trace = 5.566927284178287 (5.31297e-06% change) linmin: converged after 10 iterations. iteration 53: trace = 5.566926988731351 (5.30718e-06% change) linmin: converged after 15 iterations. iteration 54: trace = 5.566926693615613 (5.30123e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.56692639877607 (5.29627e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 5.566926104215404 (5.29126e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.566925809894014 (5.28696e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925515775385 (5.28332e-06% change) linmin: converged after 11 iterations. iteration 59: trace = 5.566925221854762 (5.27977e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924928095346 (5.27687e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924634462735 (5.27459e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924340939635 (5.27263e-06% change) linmin: converged after 7 iterations. iteration 63: trace = 5.56692404750644 (5.27101e-06% change) linmin: converged after 23 iterations. iteration 64: trace = 5.566923754129689 (5.27e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923460778015 (5.26955e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923167431536 (5.26945e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 5.566922874064527 (5.26982e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 5.566922580655327 (5.27058e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 5.566922287171046 (5.27193e-06% change) resetting CG direction... large trace change predicted (0.0754188%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718512782029 (0.075542% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516076385325 (0.0575862% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556791790405083 (0.0490142% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554010353428814 (0.0500673% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552005582857545 (0.0361024% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550547712228479 (0.0262619% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549457268880531 (0.0196476% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548473999494187 (0.0177199% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114264378192 (0.0245095% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545235393501411 (0.0338769% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543228109084729 (0.0362049% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884091982618 (0.024249% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541239968218262 (0.0116235% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832071170986 (0.00736139% change) linmin: converged after 4 iterations. iteration 84: trace = 5.540632074196049 (0.00360958% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551195367696 (0.00145975% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517966360051 (0.000599744% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050758501761 (0.000187372% change) linmin: converged after 5 iterations. iteration 88: trace = 5.540503174032403 (7.96134e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.54050151560827 (2.99327e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500784614716 (1.31936e-05% change) linmin: converged after 13 iterations. iteration 91: trace = 5.540500263761089 (9.40084e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 5.54049982753501 (7.87341e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 5.540499525516076 (5.45111e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499204019576 (5.80266e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498783005636 (7.59885e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498244686079 (9.71609e-06% change) linmin: converged after 8 iterations. iteration 97: trace = 5.540497715640619 (9.5487e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529492564 (3.35977e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433083058 (1.74009e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497372993969 (1.08454e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320879106 (9.40617e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282464852 (6.93336e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.540497260411306 (3.98043e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250229082 (1.83778e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245835659 (7.92966e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 5.54049724429488 (2.78094e-08% change) linmin: converged after 5 iterations. iteration 107: trace = 5.540497243575158 (1.29902e-08% change) linmin: converged after 15 iterations. iteration 108: trace = 5.540497243249977 (5.86916e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243061477 (3.40222e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 5.540497242956238 (1.89944e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242912883 (7.82521e-10% change) linmin: converged after 13 iterations. iteration 112: trace = 5.540497242878081 (6.28145e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.540497242842925 (6.34526e-10% change) linmin: converged after 6 iterations. iteration 114: trace = 5.540497242789407 (9.65944e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 5.540497242722664 (1.20462e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658179 (1.16389e-09% change) linmin: converged after 5 iterations. iteration 117: trace = 5.540497242618782 (7.11072e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597686 (3.8076e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587047 (1.92031e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581502 (1.00079e-10% change) linmin: converged after 5 iterations. iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.419086217880249 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000252259 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.08995e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000416155 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.54618e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.0013508i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081822686 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029228409 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358038294 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093779247 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599955 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472484 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717327 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902817 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643219 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353633 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158968 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.499375016510671 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565689 (8.71826e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.499374947904278 (8.69224e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845085 (1.92602e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72148e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.499374946459589 (2.28834e-09% change) linmin: converged after 18 iterations. iteration 20: trace = 5.499374946407672 (9.44063e-10% change) linmin: converged after 15 iterations. iteration 21: trace = 5.499374946373183 (6.27141e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.499374946309954 (6.07018e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288361 (3.92652e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.499374946279792 (1.5582e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276069 (6.7703e-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: 0.09202814102172852 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.1595e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62507e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.00022e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.35597e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.08219e-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 = 5.49616707008053 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190713 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111948148 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973381 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583483 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149569 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235764 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535459 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740719 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 20 iterations. iteration 14: trace = 5.485459100856755 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.48545909016168 (1.94971e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892922 (1.1428e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.485459081556677 (4.25898e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.485459080639322 (1.67234e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.48545908025817 (6.94841e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162858 (1.73753e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117771 (8.21946e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098437 (3.52457e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091238 (1.31232e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087862 (6.15439e-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: 0.08491301536560059 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.13082e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 9.88711e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.95405e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -6.49491e-15i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50986e-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 = 5.518147023693828 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601575505 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987799204 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809300058 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443437179 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668689 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729359 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832038 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535196 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715469 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385451024 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323756 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496837 (4.82858e-05% change) linmin: converged after 7 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.5043624297593 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909878 (8.29627e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.504362102222021 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716718 (1.18185e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750762 (1.34464e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 5.504362092362591 (7.05207e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.50436209212603 (4.2977e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030179 (1.74135e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995303 (6.33608e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.50436209198424 (2.00989e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981044 (5.80731e-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: 0.09894156455993652 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 4.56352e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -3.04813e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 8.20994e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.08556e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.69128e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373809171 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679615654 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.55372006137112 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.55028934317466 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553176633 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597163 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562529 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112738457 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684541 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443713 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.53994911671489 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259862 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189877 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693491 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652981 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689269 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647867 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294861 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295128 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344396 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767448 (3.18796e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460983 (2.49702e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282535843 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565903 (1.55212e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778634 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688565 (2.11411e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 5.538866904154692 (1.5623e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340915 (4.84102e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871036264 (1.13826e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549572 (2.68411e-08% change) linmin: converged after 19 iterations. iteration 33: trace = 5.538866869090082 (8.29574e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883928 (3.72196e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 5.538866868762618 (2.19016e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 5.538866868693111 (1.2549e-09% change) linmin: converged after 14 iterations. iteration 37: trace = 5.538866868641512 (9.31575e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 5.538866868615177 (4.75465e-10% change) linmin: converged after 8 iterations. iteration 39: trace = 5.538866868605617 (1.72589e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600071 (1.00125e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 5.538866868590809 (1.67233e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573494 (3.1261e-10% change) linmin: converged after 14 iterations. iteration 43: trace = 5.538866868559321 (2.55877e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.53886686855396 (9.67896e-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: 0.1538088321685791 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.03732e-12 + 1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by 5.3796e-14 + 1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by -1 + 2.37437e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by -1 + -5.25629e-15i; max ampl. = 4.2595 Fixing h-field (band 8) phase by -6.95505e-13 + 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 = 5.490847033764859 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.4416000819508 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780935425 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922759868 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451089564 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871772 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703261 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600382 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279282 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.41982788511001 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680921 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901312 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.419798149677875 (1.5395e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322979 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.41979774854683 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573565 (1.84015e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735608468 (5.47086e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734089036 (2.80349e-08% change) linmin: converged after 17 iterations. iteration 21: trace = 5.419797733507783 (1.07246e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151182 (2.03849e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102875 (8.91292e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733077009 (4.77258e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054169 (4.21409e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.419797733031985 (4.09315e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.419797733016725 (2.81573e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.419797733003427 (2.45356e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989454 (2.57811e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 5.419797732973866 (2.8762e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963326 (1.94456e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.419797732958385 (9.1181e-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: 0.11600041389465332 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -9.57625e-14 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.04973e-14 + -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 -3.73762e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 9.22068e-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 = 5.256818585094051 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170534 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577934 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568209 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212077 (0.0113242% change) linmin: converged after 3 iterations. iteration 6: trace = 5.241004235879626 (0.00400633% change) linmin: converged after 17 iterations. iteration 7: trace = 5.240908449573097 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597347 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765799 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877272 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699077 (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 = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364838 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950743164 (6.91047e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555025 (2.26707e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.240853949031684 (2.81883e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.240853948976927 (1.04481e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939868 (7.07122e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.2408539488835 (1.07554e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.240853948833735 (9.49569e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802547 (5.95084e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778204 (4.64489e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.240853948757241 (3.99988e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.240853948742306 (2.84984e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.24085394873585 (1.23172e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09884500503540039 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by 5.70938e-13 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by 1.93791e-14 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 5.61235e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by -5.8315e-13 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -2.63931e-13i; 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 = 5.102472984912779 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052854 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866202 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833601 (0.00623852% change) linmin: converged after 3 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031522 (0.000854589% change) linmin: converged after 7 iterations. iteration 7: trace = 5.096556387466497 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.09654810512098 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.096544340283684 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838803 (9.70165e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659999 (2.58583e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.096544274637574 (5.93034e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956438 (1.33647e-08% change) linmin: converged after 5 iterations. iteration 16: trace = 5.096544273766987 (3.71725e-09% change) linmin: converged after 22 iterations. iteration 17: trace = 5.096544273707483 (1.16753e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88282e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621836 (9.9221e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.096544273547281 (1.46286e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463905 (1.63591e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.096544273426197 (7.39884e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.096544273414498 (2.29549e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410624 (7.60169e-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: 0.0850822925567627 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 2.83277e-16 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by 8.24069e-13 + -1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 9.83119e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by 1.27348e-11 + 1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + -1.70983e-11i; 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 = 5.010057945950273 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389307009305 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599279913 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313196149 (0.00358098% change) linmin: converged after 8 iterations. iteration 5: trace = 5.006460294302824 (0.00137859% change) linmin: converged after 4 iterations. iteration 6: trace = 5.006443503180899 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863859 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606345235 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310774 (1.27243e-05% change) linmin: converged after 18 iterations. iteration 10: trace = 5.006436638672509 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138784 (1.98812e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318635 (1.79344e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.006436497214729 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812794 (8.02835e-09% change) linmin: converged after 13 iterations. iteration 16: trace = 5.006436496713436 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673629 (7.95122e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632912 (8.13306e-10% change) large trace change predicted (2.20207e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.006436496522667 (2.20205e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.006436496410069 (2.24906e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.006436496357248 (1.05508e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.00643649634443 (2.56016e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.00643649634139 (6.07265e-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: 0.0818321704864502 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by -1 + -1.69173e-12i; max ampl. = 1.64641 Fixing h-field (band 5) phase by 6.05644e-15 + -1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by 6.38217e-13 + 1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -3.83599e-15 + -1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + -5.64393e-15i; 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 = 4.978993750395213 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350116369 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668860984 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201928327 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205361087 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191053 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125455 (4.0958e-05% change) linmin: converged after 22 iterations. iteration 8: trace = 4.97598446244914 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964184 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211344 (9.3957e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.975984281705329 (3.92003e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.975984271802615 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162569 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893697 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819593 (1.48924e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774329 (9.09636e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.97598426570684 (1.3563e-09% change) large trace change predicted (3.4883e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533267 (3.48822e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.97598426542687 (2.1382e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393326 (6.74115e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384496 (1.77458e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.975984265381783 (5.45296e-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: 0.08135104179382324 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -1.12741e-10i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + 1.67001e-14i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.27634e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -1.93784e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 1.29522e-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 = 5.042733647620472 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694840728 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796214106 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352526 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550591 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602301 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251284 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323867 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 26 iterations. iteration 11: trace = 5.03637849730083 (1.27317e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 5.036378484106185 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 5.03637848012837 (1.55434e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44956e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909357 (8.99063e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25132e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895268 (5.46164e-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: 0.06469035148620605 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -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 2.94781e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -2.77483e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by -3.16986e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + -1.08633e-09i; 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 = 5.21913235216869 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319364 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516376 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191118343 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347182 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445572 (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 4 iterations. iteration 9: trace = 5.206571394211532 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670567 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491536 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192129 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082154 (9.81448e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507296 (3.02475e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 5.206566306040202 (8.97126e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927633 (2.16205e-09% change) linmin: converged after 12 iterations. iteration 19: trace = 5.206566305900049 (5.29796e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893731 (1.21339e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891691 (3.91841e-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: 0.07483434677124023 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by 2.53743e-14 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by 5.3903e-15 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 8.46556e-10 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -1.46167e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.07897e-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 = 5.468255756299449 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812747131 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622418965 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356552479 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971081 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855458 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333392 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575112 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939795 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811478 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895428 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169108 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907005 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745807 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 5.417088812132397 (8.50554e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.417088788744922 (4.31735e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 5.417088776389871 (2.28075e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.417088770680235 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321152 (4.35489e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.417088767370208 (1.75545e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 5.417088766928411 (8.15561e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.417088766681355 (4.56067e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.417088766554602 (2.33989e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462994 (1.69109e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 5.417088766423699 (7.25386e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.41708876641256 (2.05637e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.417088766409227 (6.15173e-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: 0.10230779647827148 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -3.61395e-15 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 1.35722e-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 + 7.22546e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 7.18452e-11i; 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 = 5.600203178966252 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902366905 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640700966 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903154754 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.52412996609098 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860146 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215829 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379386 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667624 (0.00194077% change) linmin: converged after 5 iterations. iteration 10: trace = 5.522540696465857 (0.00197377% change) linmin: converged after 7 iterations. iteration 11: trace = 5.522446530191621 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.522358366920805 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787116066 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461643 (0.000382933% change) linmin: converged after 4 iterations. iteration 15: trace = 5.522271218167427 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619549674 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291797 (1.19744e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.522267758808093 (3.61235e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 5.522267691563139 (1.21771e-06% change) linmin: converged after 14 iterations. iteration 20: trace = 5.522267667644009 (4.3314e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.522267656937707 (1.93875e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032022 (7.07261e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434978 (4.70286e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 5.522267648929224 (2.7267e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.52226764812226 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457968 (1.20293e-08% change) linmin: converged after 21 iterations. iteration 27: trace = 5.52226764682253 (1.15068e-08% change) linmin: converged after 5 iterations. iteration 28: trace = 5.522267646290366 (9.63669e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965354 (5.88548e-09% change) linmin: converged after 20 iterations. iteration 30: trace = 5.522267645803387 (2.93299e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716794 (1.56807e-09% change) linmin: converged after 13 iterations. iteration 32: trace = 5.522267645679253 (6.79805e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 5.522267645667594 (2.11129e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664733 (5.18213e-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: 0.11956572532653809 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -1.96012e-14 + 1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -1.73064e-09i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -8.62145e-14 + -1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by -6.00378e-11 + 1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by -1 + -1.49798e-14i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343686153 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468803457 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640948285 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172751885 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736264788 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767956 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897365 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418613 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938949176 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399634 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880777268 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664429506 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253128 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283162064 (0.00806656% change) near maximum in trace linmin: converged after 14 iterations. iteration 15: trace = 5.566399673346653 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201915931 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389178356 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785228282 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.56266800884599 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637722995 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631093034 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618543751 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.55696024491716 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.55578958693094 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798721044623 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114235886 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035979616 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676979562 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838245825 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970061278 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060972303 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956976141 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.5514735904469 (0.00441975% change) linmin: converged after 5 iterations. iteration 34: trace = 5.551249526790848 (0.00403619% change) linmin: converged after 5 iterations. iteration 35: trace = 5.551047677416069 (0.00363617% change) linmin: converged after 5 iterations. iteration 36: trace = 5.550864325188476 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189084933 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717959401 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745028214 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430583462 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903555643 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.55000442186271 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461721015 (0.00203534% change) linmin: converged after 7 iterations. iteration 44: trace = 5.549785756757526 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477705529 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.54959723163614 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438068885 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431044415 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300655062 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832009439 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789728103 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393154708 (0.00107036% change) linmin: converged after 4 iterations. iteration 53: trace = 5.549131424712385 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954359294 (0.000945564% change) linmin: converged after 11 iterations. iteration 55: trace = 5.54902921463523 (0.000896364% change) linmin: converged after 4 iterations. iteration 56: trace = 5.548981603661867 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441687392 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438719772 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547255047 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214518713 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940675959 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719294887 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070260372 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460704889 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158058219 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782969059 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723992518 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403459734 (0.000456344% change) linmin: converged after 4 iterations. iteration 69: trace = 5.548522919797842 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 6 iterations. iteration 70: trace = 5.548329976785977 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222557171 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081094981 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373791001 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375773933 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473804 (6.67304e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 5.548141864891585 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837045155 (5.45741e-05% change) linmin: converged after 5 iterations. iteration 78: trace = 5.548134589430296 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746382553 (0.000105316% change) linmin: converged after 6 iterations. iteration 80: trace = 5.548123649319649 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114302 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009803089 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.548118262534494 (1.34689e-05% change) linmin: converged after 12 iterations. iteration 84: trace = 5.548117907882101 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015866 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428173 (2.20953e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 5.548117726415585 (5.42993e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588884 (1.49006e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.54811772537285 (3.89381e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334794 (6.85922e-10% change) linmin: converged after 16 iterations. iteration 92: trace = 5.548117725327052 (1.39547e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 5.548117725324992 (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: 0.24753522872924805 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 1.46285e-09 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 8.44008e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 1.35168e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 5.03314e-11 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + 2.74593e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.496835864744899 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225445 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117835 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069754 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757003 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677103 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585589 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: 0.8819818134421844 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594152 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052694 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% total elapsed time for run: 2.0737619400024414 done /tmp/meepfwWQZ2/test_get_eigenvectors-0: 2.10s /tmp/meepfwWQZ2/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: 0.0016889572143554688 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1400144100189209 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4198317527770996 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09199261665344238 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08528327941894531 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09876370429992676 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15364742279052734 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11582756042480469 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09882211685180664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0849454402923584 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08156275749206543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08138298988342285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.0644981861114502 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07462120056152344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10215163230895996 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11940383911132812 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24849224090576172 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.063464641571045 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 ./tmp/meepfwWQZ2/test_get_hfield-0: 2.07s /tmp/meepfwWQZ2/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: 0.0017588138580322266 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 = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.06571245193481445 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.06435441970825195 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.05392122268676758 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.05054044723510742 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.04711508750915527 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-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: 0.046999454498291016 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.043543338775634766 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.043643951416015625 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.03686714172363281 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (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 = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.036730051040649414 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (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 = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.033261775970458984 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 + -4.11947e-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 + 4.11949e-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 + 4.11947e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (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 = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-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: 0.04017758369445801 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 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (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 = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (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: 0.04373478889465332 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (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: 0.04703259468078613 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-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: 0.06094813346862793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-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: 0.044293880462646484 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 0.7629082202911377 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/meepfwWQZ2/test_handle_cvector-0: 0.79s /tmp/meepfwWQZ2/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: 0.0020194053649902344 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 9 iterations. iteration 1: trace = 46.67690825536697 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192827 (76.4036% change) linmin: converged after 7 iterations. iteration 3: trace = 17.90281367460767 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745359328688 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.5750362373405 (5.44878% change) linmin: converged after 6 iterations. iteration 6: trace = 14.93685931304165 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204238656 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803968889915 (4.36364% change) linmin: converged after 7 iterations. iteration 9: trace = 13.72475703230866 (2.25685% change) linmin: converged after 7 iterations. iteration 10: trace = 13.4449672083815 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.0870945783322 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444592480164 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657794573715 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678335232455 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.817127356126 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216613217043 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973444709829 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959834770915 (4.30853% change) linmin: converged after 6 iterations. iteration 19: trace = 9.946119538511061 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108830354809 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211154753766 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783602261236 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907757286732 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023298863596 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859523338256 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495027457722 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127999012116943 (5.15934% change) linmin: converged after 5 iterations. iteration 28: trace = 6.950727449789542 (2.51829% change) linmin: converged after 6 iterations. iteration 29: trace = 6.788207341134048 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378886500324 (1.85597% change) linmin: converged after 9 iterations. iteration 31: trace = 6.387397232057848 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629971505896 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265325318604 (3.89779% change) linmin: converged after 8 iterations. iteration 34: trace = 5.676181980332874 (2.93511% change) linmin: converged after 7 iterations. iteration 35: trace = 5.533824091957901 (2.53984% change) linmin: converged after 5 iterations. iteration 36: trace = 5.376187992969611 (2.88975% change) linmin: converged after 9 iterations. iteration 37: trace = 5.264316051277635 (2.10276% change) linmin: converged after 7 iterations. iteration 38: trace = 5.138003198273514 (2.42855% change) linmin: converged after 9 iterations. iteration 39: trace = 5.056109244736515 (1.60669% change) linmin: converged after 5 iterations. iteration 40: trace = 4.96640635692655 (1.79003% change) linmin: converged after 5 iterations. iteration 41: trace = 4.865793975441762 (2.04659% change) linmin: converged after 10 iterations. iteration 42: trace = 4.755591673881687 (2.29078% change) linmin: converged after 7 iterations. iteration 43: trace = 4.669631009233785 (1.82406% change) linmin: converged after 6 iterations. iteration 44: trace = 4.618919977696827 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826432308583 (1.30955% change) linmin: converged after 6 iterations. iteration 46: trace = 4.516268882119356 (0.937898% change) linmin: converged after 7 iterations. iteration 47: trace = 4.466856007911902 (1.10013% change) linmin: converged after 5 iterations. iteration 48: trace = 4.402172774800399 (1.45863% change) linmin: converged after 5 iterations. iteration 49: trace = 4.348894252901269 (1.21765% change) linmin: converged after 7 iterations. iteration 50: trace = 4.277264325113683 (1.66076% change) linmin: converged after 6 iterations. iteration 51: trace = 4.218023521151729 (1.39467% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509146446154 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094397865629504 (1.4815% change) linmin: converged after 6 iterations. iteration 54: trace = 4.000042646124126 (2.33136% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502375777396 (1.95746% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850087977642069 (1.86333% change) linmin: converged after 6 iterations. iteration 57: trace = 3.791821624777387 (1.52492% change) linmin: converged after 4 iterations. iteration 58: trace = 3.753050559196221 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648583891644 (0.893974% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349095548178 (0.763716% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517519433416 (0.702244% change) linmin: converged after 6 iterations. iteration 62: trace = 3.642774781668295 (0.622382% change) linmin: converged after 5 iterations. iteration 63: trace = 3.621632100674366 (0.58209% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354196362829 (0.478216% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974644489242 (0.427606% change) linmin: converged after 6 iterations. iteration 66: trace = 3.575630701311873 (0.372496% change) linmin: converged after 5 iterations. iteration 67: trace = 3.563562012836774 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359767065565 (0.343004% change) linmin: converged after 5 iterations. iteration 69: trace = 3.53957597962671 (0.332362% change) resetting CG direction... large trace change predicted (2.94866%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405003635064 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606294579976 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178665740302 (0.938448% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511280245435 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395715525537 (0.576125% change) linmin: converged after 8 iterations. iteration 75: trace = 3.303101951303574 (0.160138% change) linmin: converged after 5 iterations. iteration 76: trace = 3.295500074315358 (0.230409% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073495842476 (0.225609% change) linmin: converged after 5 iterations. iteration 78: trace = 3.281432446120908 (0.202178% change) linmin: converged after 8 iterations. iteration 79: trace = 3.268340887157027 (0.399756% change) linmin: converged after 4 iterations. iteration 80: trace = 3.26333711864942 (0.153215% change) large trace change predicted (0.729754%) linmin: converged after 6 iterations. iteration 81: trace = 3.239916634185125 (0.72027% change) linmin: converged after 5 iterations. iteration 82: trace = 3.220325582509675 (0.606511% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541199516161 (0.678761% change) linmin: converged after 6 iterations. iteration 84: trace = 3.177521855519817 (0.65932% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689262575439 (0.594443% change) linmin: converged after 6 iterations. iteration 86: trace = 3.124351495816897 (1.09303% change) linmin: converged after 5 iterations. iteration 87: trace = 3.115938027466064 (0.26965% change) large trace change predicted (0.805529%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192367895892 (0.79733% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081043061865528 (0.32887% change) linmin: converged after 7 iterations. iteration 90: trace = 3.068577947245625 (0.405395% change) linmin: converged after 4 iterations. iteration 91: trace = 3.058935671134534 (0.314721% change) linmin: converged after 5 iterations. iteration 92: trace = 3.051808416393726 (0.23327% change) linmin: converged after 5 iterations. iteration 93: trace = 3.039400857003012 (0.407392% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435735111632 (0.0976037% change) large trace change predicted (0.289199%) linmin: converged after 5 iterations. iteration 95: trace = 3.027689303568482 (0.288465% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436184437964 (0.0744448% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123331503703 (0.10956% change) linmin: converged after 8 iterations. iteration 98: trace = 3.01955768263848 (0.0849316% change) linmin: converged after 8 iterations. iteration 99: trace = 3.017617428696139 (0.0642769% change) large trace change predicted (0.199214%) linmin: converged after 6 iterations. iteration 100: trace = 3.01170284730482 (0.196194% change) linmin: converged after 6 iterations. iteration 101: trace = 3.008822240665896 (0.0956929% change) large trace change predicted (0.494578%) linmin: converged after 8 iterations. iteration 102: trace = 2.993101172329537 (0.523868% change) large trace change predicted (2.76671%) linmin: converged after 11 iterations. iteration 103: trace = 2.971608131661818 (0.720674% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426372018933 (0.174528% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962577335962634 (0.129838% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663814503978 (0.0983925% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957614268408919 (0.0692733% change) linmin: converged after 6 iterations. iteration 108: trace = 2.956028315577791 (0.0536371% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446828534768 (0.0535147% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952645123350557 (0.0610014% change) linmin: converged after 3 iterations. iteration 111: trace = 2.950800747639175 (0.0624847% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162679603889 (0.0555281% change) linmin: converged after 6 iterations. iteration 113: trace = 2.947680769585623 (0.0502611% change) linmin: converged after 4 iterations. iteration 114: trace = 2.946174316059846 (0.0511195% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944665989901709 (0.0512092% change) linmin: converged after 11 iterations. iteration 116: trace = 2.94338718010785 (0.0434374% change) linmin: converged after 4 iterations. iteration 117: trace = 2.942363134458385 (0.0347975% change) linmin: converged after 5 iterations. iteration 118: trace = 2.941372527586286 (0.0336727% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940247056151807 (0.0382708% change) linmin: converged after 5 iterations. iteration 120: trace = 2.939086120553895 (0.0394921% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938049396688806 (0.0352799% change) linmin: converged after 8 iterations. iteration 122: trace = 2.937030122878281 (0.0346982% change) linmin: converged after 5 iterations. iteration 123: trace = 2.935785576218478 (0.0423833% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934267173084133 (0.0517339% change) linmin: converged after 5 iterations. iteration 125: trace = 2.932754060489035 (0.0515803% change) linmin: converged after 5 iterations. iteration 126: trace = 2.931393532103366 (0.0464016% change) linmin: converged after 6 iterations. iteration 127: trace = 2.930046495063065 (0.0459627% change) linmin: converged after 7 iterations. iteration 128: trace = 2.928605619303829 (0.049188% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927187007466751 (0.0484516% change) linmin: converged after 4 iterations. iteration 130: trace = 2.925926675436992 (0.0430654% change) linmin: converged after 5 iterations. iteration 131: trace = 2.924738662474098 (0.0406112% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387895027909 (0.0461949% change) linmin: converged after 5 iterations. iteration 133: trace = 2.921695653224211 (0.0579031% change) linmin: converged after 6 iterations. iteration 134: trace = 2.919768542575914 (0.0659804% change) linmin: converged after 5 iterations. iteration 135: trace = 2.917897153309016 (0.0641143% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91618011679791 (0.0588623% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914508467988806 (0.0573397% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912776681955193 (0.0594371% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911011678101686 (0.0606136% change) resetting CG direction... large trace change predicted (0.793652%) linmin: converged after 4 iterations. iteration 140: trace = 2.888448142915038 (0.778125% change) large trace change predicted (2.41105%) linmin: converged after 6 iterations. iteration 141: trace = 2.824398529445118 (2.2423% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788320471782379 (1.28558% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760127495906069 (1.01625% change) linmin: converged after 3 iterations. iteration 144: trace = 2.74730282532291 (0.465722% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742809408693551 (0.163691% change) linmin: converged after 5 iterations. iteration 146: trace = 2.736560058301035 (0.228105% change) linmin: converged after 5 iterations. iteration 147: trace = 2.734950336139924 (0.0588401% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082786847843 (0.104903% change) linmin: converged after 4 iterations. iteration 149: trace = 2.731340381039817 (0.0271773% change) large trace change predicted (0.0664551%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522755863807 (0.0665692% change) linmin: converged after 4 iterations. iteration 151: trace = 2.728915130841332 (0.0222637% change) linmin: converged after 5 iterations. iteration 152: trace = 2.727938729485695 (0.0357862% change) linmin: converged after 3 iterations. iteration 153: trace = 2.727649653611959 (0.0105974% change) large trace change predicted (0.0314754%) linmin: converged after 7 iterations. iteration 154: trace = 2.72679207296228 (0.0314452% change) linmin: converged after 4 iterations. iteration 155: trace = 2.72641448325213 (0.0138484% change) large trace change predicted (0.0747233%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395947852308 (0.0740637% change) linmin: converged after 5 iterations. iteration 157: trace = 2.723688292409418 (0.0259781% change) linmin: converged after 6 iterations. iteration 158: trace = 2.722564803544207 (0.0412573% change) linmin: converged after 5 iterations. iteration 159: trace = 2.721743271194884 (0.0301795% change) linmin: converged after 8 iterations. iteration 160: trace = 2.720173035563441 (0.0577089% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719127715449163 (0.0384358% change) large trace change predicted (0.105615%) linmin: converged after 5 iterations. iteration 162: trace = 2.716259971523434 (0.105521% change) linmin: converged after 8 iterations. iteration 163: trace = 2.715293174461638 (0.0355993% change) large trace change predicted (0.139376%) linmin: converged after 5 iterations. iteration 164: trace = 2.711485804408327 (0.140318% change) linmin: converged after 6 iterations. iteration 165: trace = 2.71054890721527 (0.0345589% change) large trace change predicted (0.0881075%) linmin: converged after 4 iterations. iteration 166: trace = 2.70814144600202 (0.0888577% change) linmin: converged after 5 iterations. iteration 167: trace = 2.707016516787054 (0.0415474% change) linmin: converged after 4 iterations. iteration 168: trace = 2.705086929583155 (0.0713064% change) linmin: converged after 4 iterations. iteration 169: trace = 2.70424874894955 (0.0309902% change) linmin: converged after 5 iterations. iteration 170: trace = 2.702867000300367 (0.0511085% change) linmin: converged after 7 iterations. iteration 171: trace = 2.70231459664786 (0.0204398% change) large trace change predicted (0.0431715%) linmin: converged after 7 iterations. iteration 172: trace = 2.701149069533886 (0.04314% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717618968319 (0.0159741% change) linmin: converged after 4 iterations. iteration 174: trace = 2.699927033421598 (0.0292775% change) linmin: converged after 7 iterations. iteration 175: trace = 2.699504650342186 (0.0156455% change) linmin: converged after 5 iterations. iteration 176: trace = 2.698895629440849 (0.022563% change) linmin: converged after 9 iterations. iteration 177: trace = 2.698452371038478 (0.016425% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697994046170131 (0.0169862% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465372341332 (0.019597% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665720695167 (0.029649% change) linmin: converged after 6 iterations. iteration 181: trace = 2.696203232256923 (0.0171519% change) large trace change predicted (0.0346661%) linmin: converged after 6 iterations. iteration 182: trace = 2.69526764984018 (0.034706% change) linmin: converged after 6 iterations. iteration 183: trace = 2.694439472067331 (0.0307318% change) large trace change predicted (0.0623143%) linmin: converged after 4 iterations. iteration 184: trace = 2.692754916969655 (0.0625392% change) linmin: converged after 9 iterations. iteration 185: trace = 2.690742262506675 (0.0747713% change) linmin: converged after 8 iterations. iteration 186: trace = 2.687554655300269 (0.118536% change) linmin: converged after 7 iterations. iteration 187: trace = 2.685786652788846 (0.0658064% change) large trace change predicted (0.272371%) linmin: converged after 5 iterations. iteration 188: trace = 2.678470801265393 (0.272763% change) linmin: converged after 11 iterations. iteration 189: trace = 2.675876930557866 (0.0968884% change) large trace change predicted (0.339216%) linmin: converged after 4 iterations. iteration 190: trace = 2.666751007989556 (0.341627% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662939772318645 (0.143019% change) linmin: converged after 8 iterations. iteration 192: trace = 2.6570957936969 (0.219697% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653505191516707 (0.135224% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648512567672112 (0.188329% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319307470468 (0.120641% change) linmin: converged after 8 iterations. iteration 196: trace = 2.643041243277609 (0.0861539% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639075345586344 (0.150163% change) linmin: converged after 8 iterations. iteration 198: trace = 2.637975794917315 (0.0416729% change) large trace change predicted (0.120109%) linmin: converged after 4 iterations. iteration 199: trace = 2.6347848756454 (0.121034% change) linmin: converged after 7 iterations. iteration 200: trace = 2.633990400174567 (0.0301579% change) large trace change predicted (0.084429%) linmin: converged after 3 iterations. iteration 201: trace = 2.631748367470405 (0.0851555% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630651395570984 (0.0416909% change) large trace change predicted (0.0973802%) linmin: converged after 4 iterations. iteration 203: trace = 2.628069802659518 (0.0981833% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626791948770913 (0.0486351% change) large trace change predicted (0.143408%) linmin: converged after 3 iterations. iteration 205: trace = 2.622972464462565 (0.145511% change) linmin: converged after 4 iterations. iteration 206: trace = 2.62137931476261 (0.0607568% change) large trace change predicted (0.233938%) linmin: converged after 5 iterations. iteration 207: trace = 2.615108862906026 (0.239491% change) linmin: converged after 7 iterations. iteration 208: trace = 2.612606963425868 (0.0957167% change) large trace change predicted (0.27492%) linmin: converged after 5 iterations. iteration 209: trace = 2.605255134281273 (0.281795% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602477223703874 (0.106684% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598216037768704 (0.16387% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595396138286241 (0.108591% change) linmin: converged after 5 iterations. iteration 213: trace = 2.59369065669353 (0.0657334% change) large trace change predicted (0.153546%) linmin: converged after 3 iterations. iteration 214: trace = 2.589709627658045 (0.153607% change) linmin: converged after 6 iterations. iteration 215: trace = 2.588679155914417 (0.0397989% change) large trace change predicted (0.210583%) linmin: converged after 6 iterations. iteration 216: trace = 2.583223312963154 (0.21098% change) linmin: converged after 4 iterations. iteration 217: trace = 2.581702254311597 (0.0588995% change) large trace change predicted (0.132821%) linmin: converged after 6 iterations. iteration 218: trace = 2.578270197927912 (0.133026% change) linmin: converged after 6 iterations. iteration 219: trace = 2.575888725703486 (0.0924097% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572954614756323 (0.113972% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568436887211891 (0.175739% change) linmin: converged after 6 iterations. iteration 222: trace = 2.565754156116316 (0.104505% change) large trace change predicted (0.26702%) linmin: converged after 3 iterations. iteration 223: trace = 2.558855227493864 (0.269247% change) linmin: converged after 8 iterations. iteration 224: trace = 2.555875149165833 (0.116529% change) large trace change predicted (0.377693%) linmin: converged after 4 iterations. iteration 225: trace = 2.546133802956017 (0.381863% change) linmin: converged after 5 iterations. iteration 226: trace = 2.542348545364042 (0.148777% change) large trace change predicted (0.354923%) linmin: converged after 3 iterations. iteration 227: trace = 2.533247909681618 (0.358604% change) linmin: converged after 5 iterations. iteration 228: trace = 2.52944056399868 (0.150408% change) large trace change predicted (0.345371%) linmin: converged after 3 iterations. iteration 229: trace = 2.5206305991173 (0.348905% change) linmin: converged after 4 iterations. iteration 230: trace = 2.51816967107793 (0.0976791% change) large trace change predicted (0.267835%) linmin: converged after 4 iterations. iteration 231: trace = 2.511377270666094 (0.2701% change) linmin: converged after 4 iterations. iteration 232: trace = 2.510074196505032 (0.0519003% change) large trace change predicted (0.139196%) linmin: converged after 3 iterations. iteration 233: trace = 2.506567748091834 (0.139793% change) linmin: converged after 7 iterations. iteration 234: trace = 2.505717279703183 (0.0339354% change) large trace change predicted (0.0884214%) linmin: converged after 5 iterations. iteration 235: trace = 2.503500799797439 (0.088496% change) linmin: converged after 4 iterations. iteration 236: trace = 2.502216521291701 (0.0513125% change) large trace change predicted (0.11452%) linmin: converged after 3 iterations. iteration 237: trace = 2.499340672985017 (0.114998% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498350428140531 (0.0396281% change) large trace change predicted (0.14564%) linmin: converged after 3 iterations. iteration 239: trace = 2.494686987932495 (0.146742% change) linmin: converged after 4 iterations. iteration 240: trace = 2.493228520164578 (0.0584801% change) large trace change predicted (0.142697%) linmin: converged after 3 iterations. iteration 241: trace = 2.48964347618776 (0.143895% change) linmin: converged after 3 iterations. iteration 242: trace = 2.486028881270396 (0.145291% change) linmin: converged after 3 iterations. iteration 243: trace = 2.483368318122671 (0.107078% change) linmin: converged after 3 iterations. iteration 244: trace = 2.478518622861437 (0.195478% change) linmin: converged after 5 iterations. iteration 245: trace = 2.477026426789863 (0.0602233% change) large trace change predicted (0.245988%) linmin: converged after 3 iterations. iteration 246: trace = 2.470896088255247 (0.247794% change) linmin: converged after 4 iterations. iteration 247: trace = 2.468300210724617 (0.105113% change) linmin: converged after 3 iterations. iteration 248: trace = 2.463583629401084 (0.191269% change) linmin: converged after 3 iterations. iteration 249: trace = 2.46067683243128 (0.11806% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458729894015705 (0.0791534% change) large trace change predicted (0.169588%) linmin: converged after 3 iterations. iteration 251: trace = 2.454521056562851 (0.171326% change) linmin: converged after 4 iterations. iteration 252: trace = 2.453319030919832 (0.0489839% change) large trace change predicted (0.15002%) linmin: converged after 3 iterations. iteration 253: trace = 2.4495997395669 (0.151717% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448825957669639 (0.0315931% change) linmin: converged after 3 iterations. iteration 255: trace = 2.447788558849253 (0.0423721% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447349126315899 (0.0179538% change) linmin: converged after 6 iterations. iteration 257: trace = 2.447071686602103 (0.011337% change) linmin: converged after 4 iterations. iteration 258: trace = 2.446596832689071 (0.0194069% change) linmin: converged after 4 iterations. iteration 259: trace = 2.446430562393578 (0.00679621% change) large trace change predicted (0.0307962%) linmin: converged after 10 iterations. iteration 260: trace = 2.44567687847763 (0.0308122% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445325345094278 (0.0143747% change) large trace change predicted (0.05492%) linmin: converged after 3 iterations. iteration 262: trace = 2.443979770037124 (0.0550416% change) linmin: converged after 4 iterations. iteration 263: trace = 2.44305638584285 (0.0377891% change) large trace change predicted (0.0904362%) linmin: converged after 3 iterations. iteration 264: trace = 2.440833015266923 (0.0910492% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439858189144393 (0.0399462% change) large trace change predicted (0.140562%) linmin: converged after 3 iterations. iteration 266: trace = 2.436397975130141 (0.141921% change) linmin: converged after 6 iterations. iteration 267: trace = 2.435157895183555 (0.050911% change) large trace change predicted (0.127522%) linmin: converged after 3 iterations. iteration 268: trace = 2.43202617245744 (0.128687% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430969550997157 (0.0434556% change) large trace change predicted (0.0887546%) linmin: converged after 3 iterations. iteration 270: trace = 2.42880157882767 (0.0892212% change) linmin: converged after 7 iterations. iteration 271: trace = 2.428201456661499 (0.0247116% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427427734478417 (0.0318691% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427198897357013 (0.00942759% change) large trace change predicted (0.0225412%) linmin: converged after 3 iterations. iteration 274: trace = 2.426651296846774 (0.0225636% change) linmin: converged after 4 iterations. iteration 275: trace = 2.426515350666962 (0.00560237% change) large trace change predicted (0.0150731%) linmin: converged after 3 iterations. iteration 276: trace = 2.426149299236999 (0.0150866% change) linmin: converged after 7 iterations. iteration 277: trace = 2.42604334861077 (0.00436712% change) large trace change predicted (0.0121257%) linmin: converged after 3 iterations. iteration 278: trace = 2.42574907504963 (0.0121305% change) linmin: converged after 11 iterations. iteration 279: trace = 2.425615310147062 (0.00551453% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.425506385924794 (0.00449068% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425431464711454 (0.00308894% change) large trace change predicted (0.00816072%) linmin: converged after 5 iterations. iteration 282: trace = 2.425233494215989 (0.00816261% change) linmin: converged after 4 iterations. iteration 283: trace = 2.425191051463706 (0.00175006% change) large trace change predicted (0.0109637%) linmin: converged after 3 iterations. iteration 284: trace = 2.424924955529138 (0.0109728% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424747887601169 (0.00730226% change) linmin: converged after 3 iterations. iteration 286: trace = 2.424478501035183 (0.0111105% change) linmin: converged after 3 iterations. iteration 287: trace = 2.423971458328519 (0.0209157% change) linmin: converged after 6 iterations. iteration 288: trace = 2.423717030054782 (0.0104969% change) large trace change predicted (0.0317176%) linmin: converged after 3 iterations. iteration 289: trace = 2.422947586453366 (0.0317515% change) linmin: converged after 4 iterations. iteration 290: trace = 2.42228556016201 (0.0273269% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421904687749536 (0.0157249% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421236419701018 (0.0275965% change) linmin: converged after 4 iterations. iteration 293: trace = 2.421045726669086 (0.00787616% change) linmin: converged after 5 iterations. iteration 294: trace = 2.420813235710075 (0.00960338% change) linmin: converged after 4 iterations. iteration 295: trace = 2.420558403607004 (0.0105273% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420470766247239 (0.00362061% change) linmin: converged after 3 iterations. iteration 297: trace = 2.42030742835497 (0.00674841% change) linmin: converged after 6 iterations. iteration 298: trace = 2.42008914399855 (0.00901928% change) linmin: converged after 6 iterations. iteration 299: trace = 2.420013355724126 (0.00313168% change) large trace change predicted (0.00903628%) linmin: converged after 6 iterations. iteration 300: trace = 2.419794874537123 (0.00902851% change) linmin: converged after 8 iterations. iteration 301: trace = 2.419694818831106 (0.00413497% change) linmin: converged after 7 iterations. iteration 302: trace = 2.419595457686937 (0.00410643% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419455515478322 (0.00578387% change) linmin: converged after 6 iterations. iteration 304: trace = 2.419425425092193 (0.00124369% change) large trace change predicted (0.00714945%) linmin: converged after 5 iterations. iteration 305: trace = 2.419252495095128 (0.00714782% change) linmin: converged after 5 iterations. iteration 306: trace = 2.419197261242302 (0.00228312% change) large trace change predicted (0.0104159%) linmin: converged after 4 iterations. iteration 307: trace = 2.418945219040458 (0.010419% change) linmin: converged after 7 iterations. iteration 308: trace = 2.418764931361188 (0.00745343% change) linmin: converged after 3 iterations. iteration 309: trace = 2.418452005249057 (0.0129383% change) linmin: converged after 4 iterations. iteration 310: trace = 2.417885841262164 (0.0234129% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417564430046233 (0.013294% change) large trace change predicted (0.0344346%) linmin: converged after 5 iterations. iteration 312: trace = 2.416733917171363 (0.0343592% change) linmin: converged after 4 iterations. iteration 313: trace = 2.41653411035595 (0.00826798% change) linmin: converged after 4 iterations. iteration 314: trace = 2.416251600401907 (0.0116914% change) linmin: converged after 4 iterations. iteration 315: trace = 2.416151342024927 (0.00414942% change) linmin: converged after 5 iterations. iteration 316: trace = 2.416062835272836 (0.0036632% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415963394951248 (0.00411589% change) linmin: converged after 5 iterations. iteration 318: trace = 2.415935483954964 (0.00115528% change) large trace change predicted (0.00393661%) linmin: converged after 6 iterations. iteration 319: trace = 2.41584036978655 (0.00393703% change) linmin: converged after 5 iterations. iteration 320: trace = 2.415814169939886 (0.00108451% change) large trace change predicted (0.00285898%) linmin: converged after 5 iterations. iteration 321: trace = 2.415745111655867 (0.00285863% change) linmin: converged after 6 iterations. iteration 322: trace = 2.415683359006886 (0.00255629% change) linmin: converged after 6 iterations. iteration 323: trace = 2.415622097442928 (0.00253603% change) large trace change predicted (0.00647219%) linmin: converged after 4 iterations. iteration 324: trace = 2.415465758960213 (0.00647219% change) linmin: converged after 6 iterations. iteration 325: trace = 2.415417059785462 (0.00201616% change) large trace change predicted (0.00964655%) linmin: converged after 4 iterations. iteration 326: trace = 2.415184059580815 (0.00964684% change) linmin: converged after 4 iterations. iteration 327: trace = 2.415110017744065 (0.00306573% change) large trace change predicted (0.00819718%) linmin: converged after 5 iterations. iteration 328: trace = 2.414912074075603 (0.00819639% change) linmin: converged after 5 iterations. iteration 329: trace = 2.414818246002999 (0.00388544% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414735367126567 (0.00343215% change) linmin: converged after 3 iterations. iteration 331: trace = 2.414621792742087 (0.0047035% change) linmin: converged after 3 iterations. iteration 332: trace = 2.414550424412506 (0.00295572% change) linmin: converged after 6 iterations. iteration 333: trace = 2.414495109706231 (0.00229092% change) linmin: converged after 5 iterations. iteration 334: trace = 2.414423377558997 (0.00297094% change) linmin: converged after 3 iterations. iteration 335: trace = 2.414384691070278 (0.00160232% change) linmin: converged after 5 iterations. iteration 336: trace = 2.414341000176852 (0.00180962% change) linmin: converged after 5 iterations. iteration 337: trace = 2.41430055230594 (0.00167533% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414274317536414 (0.00108665% change) linmin: converged after 4 iterations. iteration 339: trace = 2.41425507287523 (0.000797123% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414236649452086 (0.000763113% change) linmin: converged after 6 iterations. iteration 341: trace = 2.414224726454799 (0.000493863% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414202726807066 (0.000911255% change) linmin: converged after 5 iterations. iteration 343: trace = 2.414178937106441 (0.000985411% change) linmin: converged after 5 iterations. iteration 344: trace = 2.414149798616576 (0.00120698% change) large trace change predicted (0.00299082%) linmin: converged after 6 iterations. iteration 345: trace = 2.41407759654868 (0.00299083% change) linmin: converged after 5 iterations. iteration 346: trace = 2.414004119437057 (0.00304374% change) large trace change predicted (0.00977882%) linmin: converged after 3 iterations. iteration 347: trace = 2.413767806995419 (0.00978971% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413687330364036 (0.00333412% change) large trace change predicted (0.0093437%) linmin: converged after 4 iterations. iteration 349: trace = 2.413461511077041 (0.00935622% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.413386434649297 (0.00311078% change) linmin: converged after 4 iterations. iteration 351: trace = 2.413305808082804 (0.00334086% change) linmin: converged after 4 iterations. iteration 352: trace = 2.4132488100235 (0.00236185% change) linmin: converged after 3 iterations. iteration 353: trace = 2.413211046121611 (0.00156487% change) linmin: converged after 5 iterations. iteration 354: trace = 2.413173536575557 (0.00155435% change) linmin: converged after 5 iterations. iteration 355: trace = 2.413167248421996 (0.000260576% change) large trace change predicted (0.000848795%) linmin: converged after 6 iterations. iteration 356: trace = 2.41314676709324 (0.000848736% change) linmin: converged after 5 iterations. iteration 357: trace = 2.413131917825763 (0.000615351% change) linmin: converged after 5 iterations. iteration 358: trace = 2.413123573766763 (0.000345778% change) large trace change predicted (0.000779705%) linmin: converged after 3 iterations. iteration 359: trace = 2.413104759268773 (0.000779677% change) linmin: converged after 4 iterations. iteration 360: trace = 2.413096158627766 (0.000356415% change) large trace change predicted (0.00114948%) linmin: converged after 4 iterations. iteration 361: trace = 2.413068415289525 (0.00114971% change) linmin: converged after 4 iterations. iteration 362: trace = 2.413062298339944 (0.000253493% change) large trace change predicted (0.000788004%) linmin: converged after 3 iterations. iteration 363: trace = 2.413043281903275 (0.000788066% change) linmin: converged after 6 iterations. iteration 364: trace = 2.413030650567991 (0.000523462% change) linmin: converged after 5 iterations. iteration 365: trace = 2.413016332836997 (0.000593352% change) large trace change predicted (0.00154277%) linmin: converged after 3 iterations. iteration 366: trace = 2.412979106526986 (0.00154274% change) linmin: converged after 16 iterations. iteration 367: trace = 2.41296256945816 (0.000685341% change) large trace change predicted (0.00259056%) linmin: converged after 4 iterations. iteration 368: trace = 2.412900063137797 (0.00259047% change) linmin: converged after 6 iterations. iteration 369: trace = 2.412862555151076 (0.00155449% change) large trace change predicted (0.00379101%) linmin: converged after 5 iterations. iteration 370: trace = 2.412771119267362 (0.00378959% change) linmin: converged after 6 iterations. iteration 371: trace = 2.412695634740488 (0.00312859% change) linmin: converged after 4 iterations. iteration 372: trace = 2.41264341456597 (0.00216441% change) linmin: converged after 5 iterations. iteration 373: trace = 2.412564555075086 (0.00326865% change) linmin: converged after 5 iterations. iteration 374: trace = 2.412538035336315 (0.00109924% change) large trace change predicted (0.00243144%) linmin: converged after 6 iterations. iteration 375: trace = 2.412479376231941 (0.00243146% change) linmin: converged after 5 iterations. iteration 376: trace = 2.412467342269555 (0.000498823% change) large trace change predicted (0.00103276%) linmin: converged after 6 iterations. iteration 377: trace = 2.412442424999895 (0.00103286% change) linmin: converged after 6 iterations. iteration 378: trace = 2.412431726272443 (0.000443482% change) linmin: converged after 5 iterations. iteration 379: trace = 2.412421034374853 (0.000443201% change) linmin: converged after 6 iterations. iteration 380: trace = 2.412401544746259 (0.00080789% change) linmin: converged after 5 iterations. iteration 381: trace = 2.412392782882931 (0.000363202% change) large trace change predicted (0.00196816%) linmin: converged after 3 iterations. iteration 382: trace = 2.412345286815266 (0.00196886% change) linmin: converged after 5 iterations. iteration 383: trace = 2.412321399839644 (0.000990202% change) large trace change predicted (0.00315659%) linmin: converged after 4 iterations. iteration 384: trace = 2.412245236804718 (0.0031573% change) linmin: converged after 5 iterations. iteration 385: trace = 2.412195786171072 (0.00205% change) linmin: converged after 5 iterations. iteration 386: trace = 2.412141590352857 (0.00224677% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412062577249244 (0.00327569% change) linmin: converged after 5 iterations. iteration 388: trace = 2.412032968311365 (0.00122754% change) large trace change predicted (0.0068887%) linmin: converged after 5 iterations. iteration 389: trace = 2.411866774488818 (0.00689043% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411792401185717 (0.00308369% change) linmin: converged after 5 iterations. iteration 391: trace = 2.41167694189856 (0.0047874% change) linmin: converged after 6 iterations. iteration 392: trace = 2.411554708220565 (0.00506854% change) linmin: converged after 5 iterations. iteration 393: trace = 2.411513927622201 (0.00169106% change) large trace change predicted (0.00349877%) linmin: converged after 4 iterations. iteration 394: trace = 2.411429523232661 (0.00350012% change) linmin: converged after 5 iterations. iteration 395: trace = 2.411388532957937 (0.00169985% change) linmin: converged after 5 iterations. iteration 396: trace = 2.411346315754386 (0.00175076% change) linmin: converged after 3 iterations. iteration 397: trace = 2.411304516312421 (0.00173346% change) linmin: converged after 7 iterations. iteration 398: trace = 2.411286660605563 (0.000740503% change) large trace change predicted (0.00153433%) linmin: converged after 5 iterations. iteration 399: trace = 2.41124965539844 (0.00153468% change) linmin: converged after 5 iterations. iteration 400: trace = 2.411230610479458 (0.000789839% change) linmin: converged after 5 iterations. iteration 401: trace = 2.411196244364239 (0.00142526% change) large trace change predicted (0.00292356%) linmin: converged after 5 iterations. iteration 402: trace = 2.411125719503228 (0.00292493% change) linmin: converged after 5 iterations. iteration 403: trace = 2.411078229031088 (0.00196966% change) large trace change predicted (0.00746489%) linmin: converged after 5 iterations. iteration 404: trace = 2.410898129574305 (0.00746994% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410842941701281 (0.00228913% change) large trace change predicted (0.00770571%) linmin: converged after 6 iterations. iteration 406: trace = 2.410657065888799 (0.00771029% change) linmin: converged after 4 iterations. iteration 407: trace = 2.410502926941938 (0.00639427% change) linmin: converged after 4 iterations. iteration 408: trace = 2.410427868635873 (0.00311385% change) large trace change predicted (0.00706503%) linmin: converged after 8 iterations. iteration 409: trace = 2.410257521902843 (0.00706732% change) linmin: converged after 8 iterations. iteration 410: trace = 2.410221980438839 (0.0014746% change) linmin: converged after 5 iterations. iteration 411: trace = 2.410151957792329 (0.00290528% change) linmin: converged after 4 iterations. iteration 412: trace = 2.410104979853131 (0.00194919% change) linmin: converged after 5 iterations. iteration 413: trace = 2.410074948488489 (0.00124607% change) linmin: converged after 4 iterations. iteration 414: trace = 2.410017691600833 (0.00237576% change) linmin: converged after 8 iterations. iteration 415: trace = 2.409984969371745 (0.00135777% change) linmin: converged after 3 iterations. iteration 416: trace = 2.409921987043194 (0.00261343% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409861004380872 (0.00253051% change) linmin: converged after 6 iterations. iteration 418: trace = 2.409831187072331 (0.00123731% change) large trace change predicted (0.00427331%) linmin: converged after 4 iterations. iteration 419: trace = 2.409728146658982 (0.00427593% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.40970147888435 (0.00110668% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409687210926401 (0.000592107% change) large trace change predicted (0.00193327%) linmin: converged after 5 iterations. iteration 422: trace = 2.409640631368262 (0.00193303% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409618934783449 (0.000900412% change) large trace change predicted (0.00398567%) linmin: converged after 3 iterations. iteration 424: trace = 2.409522903805374 (0.0039854% change) linmin: converged after 5 iterations. iteration 425: trace = 2.409482308024622 (0.00168482% change) linmin: converged after 4 iterations. iteration 426: trace = 2.409425250025307 (0.00236809% change) linmin: converged after 3 iterations. iteration 427: trace = 2.409376627490277 (0.00201803% change) linmin: converged after 5 iterations. iteration 428: trace = 2.409360314604824 (0.000677061% change) large trace change predicted (0.00221129%) linmin: converged after 5 iterations. iteration 429: trace = 2.40930702749114 (0.0022117% change) linmin: converged after 8 iterations. iteration 430: trace = 2.409249243709464 (0.00239839% change) linmin: converged after 5 iterations. iteration 431: trace = 2.409195201311559 (0.00224315% change) large trace change predicted (0.00480342%) linmin: converged after 5 iterations. iteration 432: trace = 2.409079436407521 (0.00480524% change) linmin: converged after 6 iterations. iteration 433: trace = 2.409036739092051 (0.00177237% change) large trace change predicted (0.00461077%) linmin: converged after 4 iterations. iteration 434: trace = 2.408925674196643 (0.00461045% change) linmin: converged after 4 iterations. iteration 435: trace = 2.408849660402271 (0.00315556% change) linmin: converged after 5 iterations. iteration 436: trace = 2.408785112227291 (0.00267966% change) linmin: converged after 4 iterations. iteration 437: trace = 2.408671901645651 (0.00470001% change) linmin: converged after 3 iterations. iteration 438: trace = 2.408652271204432 (0.000814994% change) large trace change predicted (0.00262957%) linmin: converged after 4 iterations. iteration 439: trace = 2.408588955931056 (0.00262869% change) linmin: converged after 8 iterations. iteration 440: trace = 2.408573834653069 (0.000627808% change) linmin: converged after 4 iterations. iteration 441: trace = 2.408544638048476 (0.0012122% change) linmin: converged after 2 iterations. iteration 442: trace = 2.408524791908381 (0.000823992% change) linmin: converged after 5 iterations. iteration 443: trace = 2.40851419524881 (0.000439966% change) large trace change predicted (0.00138376%) linmin: converged after 4 iterations. iteration 444: trace = 2.40848086631135 (0.00138381% change) linmin: converged after 5 iterations. iteration 445: trace = 2.408461387106721 (0.000808779% change) large trace change predicted (0.00184068%) linmin: converged after 5 iterations. iteration 446: trace = 2.408417050970341 (0.00184087% change) linmin: converged after 3 iterations. iteration 447: trace = 2.408370527606705 (0.00193172% change) linmin: converged after 4 iterations. iteration 448: trace = 2.408336804660302 (0.00140025% change) linmin: converged after 5 iterations. iteration 449: trace = 2.408284611550768 (0.00216721% change) linmin: converged after 5 iterations. iteration 450: trace = 2.408253436532293 (0.0012945% change) linmin: converged after 3 iterations. iteration 451: trace = 2.408191162413356 (0.0025859% change) linmin: converged after 6 iterations. iteration 452: trace = 2.408133680701252 (0.00238695% change) linmin: converged after 6 iterations. iteration 453: trace = 2.408088041127709 (0.00189524% change) large trace change predicted (0.00392028%) linmin: converged after 3 iterations. iteration 454: trace = 2.407993663125156 (0.00391929% change) linmin: converged after 6 iterations. iteration 455: trace = 2.407964535303353 (0.00120964% change) large trace change predicted (0.0024464%) linmin: converged after 3 iterations. iteration 456: trace = 2.407905631451386 (0.00244624% change) linmin: converged after 6 iterations. iteration 457: trace = 2.407858509250551 (0.001957% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407844530038918 (0.000580568% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407816820607651 (0.0011508% change) linmin: converged after 6 iterations. iteration 460: trace = 2.407812512719409 (0.000178913% change) large trace change predicted (0.000483245%) linmin: converged after 13 iterations. iteration 461: trace = 2.40780087819417 (0.0004832% change) linmin: converged after 4 iterations. iteration 462: trace = 2.407794661399401 (0.000258194% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407789494891275 (0.000214575% change) large trace change predicted (0.00088323%) linmin: converged after 5 iterations. iteration 464: trace = 2.407768232546402 (0.000883069% change) linmin: converged after 5 iterations. iteration 465: trace = 2.407759494214948 (0.000362923% change) large trace change predicted (0.00211486%) linmin: converged after 4 iterations. iteration 466: trace = 2.407708592018342 (0.00211411% change) linmin: converged after 4 iterations. iteration 467: trace = 2.407675554988585 (0.00137215% change) linmin: converged after 4 iterations. iteration 468: trace = 2.407622940142824 (0.00218532% change) linmin: converged after 10 iterations. iteration 469: trace = 2.407575908380863 (0.00195347% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407555363912389 (0.00085333% change) large trace change predicted (0.00244944%) linmin: converged after 3 iterations. iteration 471: trace = 2.407496409876307 (0.00244874% change) linmin: converged after 4 iterations. iteration 472: trace = 2.407469939316644 (0.00109951% change) linmin: converged after 3 iterations. iteration 473: trace = 2.407438034055737 (0.00132527% change) linmin: converged after 5 iterations. iteration 474: trace = 2.407409185125543 (0.00119833% change) linmin: converged after 4 iterations. iteration 475: trace = 2.407401324309179 (0.000326527% change) large trace change predicted (0.000735905%) linmin: converged after 6 iterations. iteration 476: trace = 2.407383609612983 (0.000735846% change) linmin: converged after 6 iterations. iteration 477: trace = 2.407375220785283 (0.000348463% change) large trace change predicted (0.000781928%) linmin: converged after 5 iterations. iteration 478: trace = 2.407356399350062 (0.000781827% change) linmin: converged after 4 iterations. iteration 479: trace = 2.407340379218086 (0.000665468% change) linmin: converged after 7 iterations. iteration 480: trace = 2.407334955638029 (0.000225294% change) large trace change predicted (0.000888633%) linmin: converged after 3 iterations. iteration 481: trace = 2.407313564046815 (0.000888604% change) linmin: converged after 5 iterations. iteration 482: trace = 2.407309548045058 (0.000166825% change) large trace change predicted (0.000616995%) linmin: converged after 4 iterations. iteration 483: trace = 2.407294695271179 (0.000616988% change) linmin: converged after 5 iterations. iteration 484: trace = 2.407281115532553 (0.000564109% change) linmin: converged after 5 iterations. iteration 485: trace = 2.407271414250927 (0.000402998% change) large trace change predicted (0.00139438%) linmin: converged after 5 iterations. iteration 486: trace = 2.407237857736547 (0.00139397% change) linmin: converged after 6 iterations. iteration 487: trace = 2.407223779029771 (0.000584851% change) large trace change predicted (0.00416875%) linmin: converged after 6 iterations. iteration 488: trace = 2.407123526952789 (0.00416472% change) linmin: converged after 5 iterations. iteration 489: trace = 2.407026330795406 (0.00403794% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.406957269518961 (0.00286919% change) linmin: converged after 5 iterations. iteration 491: trace = 2.406870496565155 (0.00360515% change) linmin: converged after 4 iterations. iteration 492: trace = 2.406844872411499 (0.00106463% change) linmin: converged after 6 iterations. iteration 493: trace = 2.406823222726326 (0.000899509% change) linmin: converged after 4 iterations. iteration 494: trace = 2.406798510252978 (0.00102677% change) linmin: converged after 6 iterations. iteration 495: trace = 2.406792109081453 (0.000265962% change) large trace change predicted (0.000867646%) linmin: converged after 3 iterations. iteration 496: trace = 2.406771227114573 (0.00086763% change) linmin: converged after 12 iterations. iteration 497: trace = 2.406764503990177 (0.000279342% change) large trace change predicted (0.000566493%) linmin: converged after 8 iterations. iteration 498: trace = 2.40675087105694 (0.000566444% change) linmin: converged after 7 iterations. iteration 499: trace = 2.406738055778725 (0.000532474% change) linmin: converged after 7 iterations. iteration 500: trace = 2.406732425392003 (0.000233943% change) large trace change predicted (0.000756148%) linmin: converged after 5 iterations. iteration 501: trace = 2.406714229111141 (0.00075606% change) linmin: converged after 5 iterations. iteration 502: trace = 2.406705294928117 (0.00037122% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406690710234951 (0.000606004% change) linmin: converged after 5 iterations. iteration 504: trace = 2.40667063234783 (0.000834256% change) linmin: converged after 5 iterations. iteration 505: trace = 2.406661194691035 (0.000392147% change) large trace change predicted (0.00113089%) linmin: converged after 3 iterations. iteration 506: trace = 2.406633974864492 (0.00113103% change) linmin: converged after 5 iterations. iteration 507: trace = 2.406607392676347 (0.00110454% change) linmin: converged after 4 iterations. iteration 508: trace = 2.406575829183933 (0.00131154% change) linmin: converged after 3 iterations. iteration 509: trace = 2.406521134375334 (0.00227275% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406503241437983 (0.000743522% change) large trace change predicted (0.00300957%) linmin: converged after 6 iterations. iteration 511: trace = 2.406430832869664 (0.00300892% change) linmin: converged after 4 iterations. iteration 512: trace = 2.406387361342657 (0.00180649% change) linmin: converged after 5 iterations. iteration 513: trace = 2.406355518966213 (0.00132325% change) linmin: converged after 4 iterations. iteration 514: trace = 2.406329490383353 (0.00108167% change) linmin: converged after 4 iterations. iteration 515: trace = 2.406320645471696 (0.000367569% change) linmin: converged after 2 iterations. iteration 516: trace = 2.406303123871054 (0.000728152% change) linmin: converged after 6 iterations. iteration 517: trace = 2.406294411613941 (0.00036206% change) linmin: converged after 5 iterations. iteration 518: trace = 2.406286414055346 (0.00033236% change) linmin: converged after 11 iterations. iteration 519: trace = 2.406271583428192 (0.00061633% change) linmin: converged after 5 iterations. iteration 520: trace = 2.406263308925204 (0.000343873% change) large trace change predicted (0.000915081%) linmin: converged after 5 iterations. iteration 521: trace = 2.406241294679505 (0.000914877% change) linmin: converged after 5 iterations. iteration 522: trace = 2.406199173016654 (0.00175053% change) linmin: converged after 3 iterations. iteration 523: trace = 2.406173876238488 (0.00105132% change) large trace change predicted (0.00280236%) linmin: converged after 7 iterations. iteration 524: trace = 2.406106489210063 (0.00280063% change) linmin: converged after 5 iterations. iteration 525: trace = 2.406080420577878 (0.00108344% change) large trace change predicted (0.00263422%) linmin: converged after 5 iterations. iteration 526: trace = 2.406017049372287 (0.00263383% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405967533638343 (0.00205802% change) linmin: converged after 5 iterations. iteration 528: trace = 2.405935172494428 (0.00134505% change) large trace change predicted (0.00404592%) linmin: converged after 4 iterations. iteration 529: trace = 2.405837809078261 (0.00404688% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405798814768455 (0.00162083% change) large trace change predicted (0.0037066%) linmin: converged after 4 iterations. iteration 531: trace = 2.405709593420989 (0.00370866% change) linmin: converged after 4 iterations. iteration 532: trace = 2.405637557767991 (0.00299441% change) linmin: converged after 4 iterations. iteration 533: trace = 2.405602244559844 (0.00146795% change) linmin: converged after 4 iterations. iteration 534: trace = 2.405562832784966 (0.00163835% change) linmin: converged after 5 iterations. iteration 535: trace = 2.405546493173059 (0.000679245% change) linmin: converged after 5 iterations. iteration 536: trace = 2.405520748706309 (0.00107022% change) linmin: converged after 5 iterations. iteration 537: trace = 2.405500717412782 (0.000832725% change) linmin: converged after 5 iterations. iteration 538: trace = 2.405482124851071 (0.000772922% change) large trace change predicted (0.00184766%) linmin: converged after 4 iterations. iteration 539: trace = 2.405437681000958 (0.00184762% change) linmin: converged after 3 iterations. iteration 540: trace = 2.405411721585987 (0.0010792% change) large trace change predicted (0.002842%) linmin: converged after 5 iterations. iteration 541: trace = 2.405343335641992 (0.00284304% change) linmin: converged after 4 iterations. iteration 542: trace = 2.405288066254962 (0.0022978% change) linmin: converged after 9 iterations. iteration 543: trace = 2.405179376241461 (0.0045189% change) linmin: converged after 5 iterations. iteration 544: trace = 2.40506840314169 (0.00461403% change) linmin: converged after 4 iterations. iteration 545: trace = 2.404994116800035 (0.00308879% change) large trace change predicted (0.0071561%) linmin: converged after 6 iterations. iteration 546: trace = 2.404822128907764 (0.00715154% change) linmin: converged after 5 iterations. iteration 547: trace = 2.404776201949189 (0.0019098% change) large trace change predicted (0.00526143%) linmin: converged after 6 iterations. iteration 548: trace = 2.404649739793424 (0.00525893% change) linmin: converged after 3 iterations. iteration 549: trace = 2.404583649844168 (0.00274846% change) linmin: converged after 4 iterations. iteration 550: trace = 2.404547957918711 (0.00148434% change) linmin: converged after 5 iterations. iteration 551: trace = 2.404484313629107 (0.00264686% change) linmin: converged after 5 iterations. iteration 552: trace = 2.404462353903598 (0.000913286% change) large trace change predicted (0.00413703%) linmin: converged after 3 iterations. iteration 553: trace = 2.40436296662452 (0.00413354% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404325909399927 (0.00154126% change) large trace change predicted (0.00388783%) linmin: converged after 8 iterations. iteration 555: trace = 2.40423249741102 (0.00388524% change) linmin: converged after 4 iterations. iteration 556: trace = 2.40417473359623 (0.00240262% change) linmin: converged after 3 iterations. iteration 557: trace = 2.404142752565208 (0.00133024% change) linmin: converged after 5 iterations. iteration 558: trace = 2.404110700821694 (0.0013332% change) linmin: converged after 5 iterations. iteration 559: trace = 2.404093065392066 (0.000733556% change) resetting CG direction... linmin: converged after 5 iterations. iteration 560: trace = 2.404078045332241 (0.000624772% change) linmin: converged after 6 iterations. iteration 561: trace = 2.404051180451748 (0.00111748% change) linmin: converged after 4 iterations. iteration 562: trace = 2.404018893615237 (0.00134303% change) linmin: converged after 6 iterations. iteration 563: trace = 2.403969653218171 (0.00204827% change) large trace change predicted (0.00438759%) linmin: converged after 6 iterations. iteration 564: trace = 2.403864121129502 (0.00439001% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403835397136465 (0.00119492% change) large trace change predicted (0.00422546%) linmin: converged after 5 iterations. iteration 566: trace = 2.403733753789727 (0.00422847% change) linmin: converged after 8 iterations. iteration 567: trace = 2.403698695864119 (0.00145849% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40364427619776 (0.00226402% change) linmin: converged after 5 iterations. iteration 569: trace = 2.403582611632665 (0.00256549% change) linmin: converged after 4 iterations. iteration 570: trace = 2.403546294920238 (0.00151095% change) large trace change predicted (0.00544673%) linmin: converged after 6 iterations. iteration 571: trace = 2.403415443813978 (0.00544423% change) linmin: converged after 4 iterations. iteration 572: trace = 2.403375584425909 (0.00165846% change) large trace change predicted (0.00659273%) linmin: converged after 6 iterations. iteration 573: trace = 2.403217254650844 (0.00658803% change) linmin: converged after 5 iterations. iteration 574: trace = 2.403135088102778 (0.00341908% change) linmin: converged after 5 iterations. iteration 575: trace = 2.403041163443373 (0.0039085% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402925943800047 (0.00479486% change) linmin: converged after 7 iterations. iteration 577: trace = 2.402870571242855 (0.00230441% change) linmin: converged after 5 iterations. iteration 578: trace = 2.402772579702877 (0.00407819% change) linmin: converged after 6 iterations. iteration 579: trace = 2.402745835509351 (0.00111306% change) large trace change predicted (0.00250649%) linmin: converged after 5 iterations. iteration 580: trace = 2.402685605406111 (0.00250675% change) linmin: converged after 5 iterations. iteration 581: trace = 2.402668034958073 (0.000731286% change) linmin: converged after 5 iterations. iteration 582: trace = 2.402643312077053 (0.00102898% change) linmin: converged after 7 iterations. iteration 583: trace = 2.402617495848525 (0.0010745% change) linmin: converged after 5 iterations. iteration 584: trace = 2.402604079464414 (0.000558409% change) large trace change predicted (0.00210272%) linmin: converged after 3 iterations. iteration 585: trace = 2.402553574806637 (0.0021021% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402508492774035 (0.00187644% change) linmin: converged after 5 iterations. iteration 587: trace = 2.402458890623528 (0.00206462% change) linmin: converged after 5 iterations. iteration 588: trace = 2.402380815566274 (0.00324985% change) linmin: converged after 4 iterations. iteration 589: trace = 2.402342424713478 (0.00159805% change) large trace change predicted (0.00329024%) linmin: converged after 7 iterations. iteration 590: trace = 2.402263409700965 (0.00328914% change) linmin: converged after 5 iterations. iteration 591: trace = 2.402181725210517 (0.00340037% change) linmin: converged after 4 iterations. iteration 592: trace = 2.402140386227026 (0.00172091% change) large trace change predicted (0.00421812%) linmin: converged after 3 iterations. iteration 593: trace = 2.402039121043811 (0.00421571% change) linmin: converged after 6 iterations. iteration 594: trace = 2.402007095969871 (0.00133325% change) large trace change predicted (0.00348507%) linmin: converged after 4 iterations. iteration 595: trace = 2.401923405033258 (0.00348427% change) linmin: converged after 5 iterations. iteration 596: trace = 2.401862916661954 (0.00251836% change) linmin: converged after 5 iterations. iteration 597: trace = 2.401839775280153 (0.000963481% change) linmin: converged after 4 iterations. iteration 598: trace = 2.401798732385787 (0.00170883% change) linmin: converged after 5 iterations. iteration 599: trace = 2.401782993163387 (0.000655312% change) linmin: converged after 5 iterations. iteration 600: trace = 2.40176789410113 (0.000628663% change) linmin: converged after 5 iterations. iteration 601: trace = 2.401753053913696 (0.000617888% change) linmin: converged after 5 iterations. iteration 602: trace = 2.40174815166572 (0.000204111% change) large trace change predicted (0.000544992%) linmin: converged after 6 iterations. iteration 603: trace = 2.401735065733056 (0.000544852% change) linmin: converged after 5 iterations. iteration 604: trace = 2.401720084361273 (0.000623775% change) linmin: converged after 5 iterations. iteration 605: trace = 2.401698362344814 (0.00090444% change) large trace change predicted (0.002325%) linmin: converged after 4 iterations. iteration 606: trace = 2.401642512560469 (0.00232546% change) linmin: converged after 9 iterations. iteration 607: trace = 2.401611933829751 (0.00127325% change) large trace change predicted (0.00330897%) linmin: converged after 3 iterations. iteration 608: trace = 2.401532463592184 (0.00330909% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401499119087424 (0.00138848% change) linmin: converged after 5 iterations. iteration 610: trace = 2.401447417894419 (0.00215289% change) linmin: converged after 3 iterations. iteration 611: trace = 2.401385084557824 (0.00259569% change) linmin: converged after 4 iterations. iteration 612: trace = 2.401351484970682 (0.00139919% change) linmin: converged after 3 iterations. iteration 613: trace = 2.401304668927772 (0.00194959% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401292927071097 (0.000488979% change) large trace change predicted (0.00117536%) linmin: converged after 8 iterations. iteration 615: trace = 2.401264719220454 (0.0011747% change) linmin: converged after 4 iterations. iteration 616: trace = 2.401248380437763 (0.000680426% change) linmin: converged after 3 iterations. iteration 617: trace = 2.401238787611322 (0.000399494% change) large trace change predicted (0.00124652%) linmin: converged after 4 iterations. iteration 618: trace = 2.401208858022974 (0.00124643% change) linmin: converged after 7 iterations. iteration 619: trace = 2.401201445936205 (0.000308682% change) large trace change predicted (0.000912018%) linmin: converged after 5 iterations. iteration 620: trace = 2.401179545657997 (0.000912059% change) linmin: converged after 4 iterations. iteration 621: trace = 2.401167782659738 (0.000489885% change) linmin: converged after 5 iterations. iteration 622: trace = 2.40115232401181 (0.000643799% change) linmin: converged after 7 iterations. iteration 623: trace = 2.401135431530021 (0.000703518% change) linmin: converged after 6 iterations. iteration 624: trace = 2.401127364772883 (0.000335957% change) large trace change predicted (0.00109744%) linmin: converged after 3 iterations. iteration 625: trace = 2.401101017621681 (0.00109729% change) linmin: converged after 4 iterations. iteration 626: trace = 2.40107893677681 (0.000919618% change) linmin: converged after 5 iterations. iteration 627: trace = 2.401046265969237 (0.00136068% change) large trace change predicted (0.00310902%) linmin: converged after 7 iterations. iteration 628: trace = 2.400971683592469 (0.00310629% change) linmin: converged after 6 iterations. iteration 629: trace = 2.400920445009996 (0.0021341% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.400881191161568 (0.00163496% change) linmin: converged after 4 iterations. iteration 631: trace = 2.40083258118282 (0.00202469% change) linmin: converged after 5 iterations. iteration 632: trace = 2.400775436330532 (0.00238024% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400758567069976 (0.000702661% change) linmin: converged after 7 iterations. iteration 634: trace = 2.400726208542434 (0.00134786% change) linmin: converged after 9 iterations. iteration 635: trace = 2.400719717401779 (0.000270383% change) large trace change predicted (0.000945239%) linmin: converged after 5 iterations. iteration 636: trace = 2.40069702601044 (0.000945196% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400686304381208 (0.000446606% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400675961603981 (0.000430827% change) linmin: converged after 5 iterations. iteration 639: trace = 2.40065557831117 (0.000849068% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40064577320946 (0.000408435% change) large trace change predicted (0.00098766%) linmin: converged after 5 iterations. iteration 641: trace = 2.400622068888652 (0.000987419% change) linmin: converged after 6 iterations. iteration 642: trace = 2.400614665424228 (0.000308398% change) large trace change predicted (0.00091859%) linmin: converged after 5 iterations. iteration 643: trace = 2.400592618195549 (0.000918404% change) linmin: converged after 5 iterations. iteration 644: trace = 2.40057956515277 (0.000543744% change) linmin: converged after 4 iterations. iteration 645: trace = 2.400562754288886 (0.000700286% change) linmin: converged after 6 iterations. iteration 646: trace = 2.400530250256735 (0.00135403% change) linmin: converged after 5 iterations. iteration 647: trace = 2.400513378227578 (0.000702848% change) large trace change predicted (0.00289488%) linmin: converged after 3 iterations. iteration 648: trace = 2.400443876446262 (0.00289533% change) linmin: converged after 8 iterations. iteration 649: trace = 2.400425572419785 (0.00076253% change) large trace change predicted (0.00303777%) linmin: converged after 4 iterations. iteration 650: trace = 2.400352645804773 (0.00303812% change) linmin: converged after 4 iterations. iteration 651: trace = 2.400311383372737 (0.00171903% change) linmin: converged after 5 iterations. iteration 652: trace = 2.400271726383075 (0.00165217% change) linmin: converged after 4 iterations. iteration 653: trace = 2.400209603283523 (0.0025882% change) linmin: converged after 6 iterations. iteration 654: trace = 2.400193321661681 (0.000678344% change) large trace change predicted (0.00156829%) linmin: converged after 6 iterations. iteration 655: trace = 2.400155677053053 (0.00156841% change) linmin: converged after 5 iterations. iteration 656: trace = 2.400149186573974 (0.000270419% change) large trace change predicted (0.000567482%) linmin: converged after 6 iterations. iteration 657: trace = 2.400135566977637 (0.00056745% change) linmin: converged after 5 iterations. iteration 658: trace = 2.400127821202504 (0.000322723% change) linmin: converged after 4 iterations. iteration 659: trace = 2.400122253741531 (0.000231965% change) large trace change predicted (0.000844315%) linmin: converged after 4 iterations. iteration 660: trace = 2.400101985735589 (0.000844461% change) linmin: converged after 7 iterations. iteration 661: trace = 2.400093730830167 (0.00034394% change) large trace change predicted (0.00189139%) linmin: converged after 5 iterations. iteration 662: trace = 2.4000483255984 (0.00189183% change) linmin: converged after 5 iterations. iteration 663: trace = 2.400021388409706 (0.00112237% change) large trace change predicted (0.00259541%) linmin: converged after 4 iterations. iteration 664: trace = 2.399959089208699 (0.00259581% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399890620760105 (0.00285294% change) linmin: converged after 6 iterations. iteration 666: trace = 2.399858608154246 (0.00133393% change) large trace change predicted (0.00375816%) linmin: converged after 3 iterations. iteration 667: trace = 2.399768444772164 (0.0037571% change) linmin: converged after 5 iterations. iteration 668: trace = 2.399730308979426 (0.00158916% change) linmin: converged after 5 iterations. iteration 669: trace = 2.399659767508675 (0.0029396% change) linmin: converged after 5 iterations. iteration 670: trace = 2.399569108335375 (0.00377807% change) linmin: converged after 5 iterations. iteration 671: trace = 2.399539148698802 (0.00124855% change) large trace change predicted (0.00353834%) linmin: converged after 7 iterations. iteration 672: trace = 2.399454245615263 (0.00353837% change) linmin: converged after 4 iterations. iteration 673: trace = 2.399413389867977 (0.00170272% change) linmin: converged after 5 iterations. iteration 674: trace = 2.399383992729808 (0.00122519% change) linmin: converged after 6 iterations. iteration 675: trace = 2.399327126021597 (0.00237008% change) linmin: converged after 4 iterations. iteration 676: trace = 2.39931669573767 (0.000434718% change) large trace change predicted (0.0014553%) linmin: converged after 4 iterations. iteration 677: trace = 2.399281780488946 (0.00145523% change) linmin: converged after 6 iterations. iteration 678: trace = 2.399269557289851 (0.000509454% change) large trace change predicted (0.00104003%) linmin: converged after 7 iterations. iteration 679: trace = 2.399244605134143 (0.00104% change) linmin: converged after 5 iterations. iteration 680: trace = 2.399209778341632 (0.00145158% change) linmin: converged after 6 iterations. iteration 681: trace = 2.399187993198304 (0.000908017% change) large trace change predicted (0.00415945%) linmin: converged after 5 iterations. iteration 682: trace = 2.399088210314647 (0.00415911% change) linmin: converged after 5 iterations. iteration 683: trace = 2.399056221718275 (0.00133337% change) large trace change predicted (0.00596721%) linmin: converged after 3 iterations. iteration 684: trace = 2.398913104911782 (0.00596572% change) linmin: converged after 3 iterations. iteration 685: trace = 2.398850811939598 (0.00259675% change) linmin: converged after 6 iterations. iteration 686: trace = 2.39875700122225 (0.00391073% change) linmin: converged after 5 iterations. iteration 687: trace = 2.398633677363022 (0.00514129% change) linmin: converged after 11 iterations. iteration 688: trace = 2.398597001553794 (0.00152904% change) large trace change predicted (0.00529396%) linmin: converged after 7 iterations. iteration 689: trace = 2.398470057235489 (0.00529258% change) linmin: converged after 4 iterations. iteration 690: trace = 2.398437960445294 (0.00133823% change) linmin: converged after 3 iterations. iteration 691: trace = 2.398391230601388 (0.00194836% change) linmin: converged after 4 iterations. iteration 692: trace = 2.39833206436131 (0.00246694% change) linmin: converged after 5 iterations. iteration 693: trace = 2.398305795553497 (0.0010953% change) large trace change predicted (0.00229367%) linmin: converged after 5 iterations. iteration 694: trace = 2.398250809738408 (0.00229272% change) linmin: converged after 3 iterations. iteration 695: trace = 2.398206801623472 (0.00183503% change) linmin: converged after 5 iterations. iteration 696: trace = 2.398147832334272 (0.00245892% change) linmin: converged after 7 iterations. iteration 697: trace = 2.398099658302062 (0.00200882% change) linmin: converged after 6 iterations. iteration 698: trace = 2.398077434923507 (0.000926712% change) linmin: converged after 5 iterations. iteration 699: trace = 2.398055295282286 (0.000923229% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.398045005095203 (0.000429106% change) linmin: converged after 3 iterations. iteration 701: trace = 2.398031251454867 (0.000573537% change) large trace change predicted (0.00235806%) linmin: converged after 4 iterations. iteration 702: trace = 2.397974705301421 (0.00235805% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397952140548108 (0.000940997% change) large trace change predicted (0.00347249%) linmin: converged after 4 iterations. iteration 704: trace = 2.397868868267941 (0.0034727% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397836629143445 (0.0013445% change) linmin: converged after 6 iterations. iteration 706: trace = 2.397785394565341 (0.00213672% change) linmin: converged after 4 iterations. iteration 707: trace = 2.397725891231192 (0.00248163% change) linmin: converged after 8 iterations. iteration 708: trace = 2.397705434124033 (0.000853192% change) large trace change predicted (0.00267083%) linmin: converged after 5 iterations. iteration 709: trace = 2.397641391226871 (0.00267104% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397547201218146 (0.00392852% change) linmin: converged after 5 iterations. iteration 711: trace = 2.397513953342903 (0.00138676% change) large trace change predicted (0.00618255%) linmin: converged after 3 iterations. iteration 712: trace = 2.397365753453123 (0.00618159% change) linmin: converged after 5 iterations. iteration 713: trace = 2.397327041730609 (0.00161477% change) large trace change predicted (0.00361742%) linmin: converged after 4 iterations. iteration 714: trace = 2.397240334136916 (0.00361691% change) linmin: converged after 3 iterations. iteration 715: trace = 2.397143726677977 (0.00403003% change) linmin: converged after 4 iterations. iteration 716: trace = 2.39711205118414 (0.00132139% change) large trace change predicted (0.00333039%) linmin: converged after 3 iterations. iteration 717: trace = 2.39703224056156 (0.0033295% change) linmin: converged after 6 iterations. iteration 718: trace = 2.397006072532194 (0.00109169% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396973952962859 (0.00134% change) linmin: converged after 6 iterations. iteration 720: trace = 2.396952050002569 (0.00091378% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396941430042514 (0.000443062% change) large trace change predicted (0.00089795%) linmin: converged after 5 iterations. iteration 722: trace = 2.396919914532225 (0.000897628% change) linmin: converged after 5 iterations. iteration 723: trace = 2.396897661914431 (0.000928388% change) linmin: converged after 6 iterations. iteration 724: trace = 2.39686994051504 (0.00115656% change) linmin: converged after 4 iterations. iteration 725: trace = 2.396817530998328 (0.00218661% change) linmin: converged after 5 iterations. iteration 726: trace = 2.396794726927751 (0.000951436% change) large trace change predicted (0.00229541%) linmin: converged after 5 iterations. iteration 727: trace = 2.396739731301993 (0.00229458% change) linmin: converged after 12 iterations. iteration 728: trace = 2.396699912372668 (0.00166139% change) linmin: converged after 5 iterations. iteration 729: trace = 2.39665887172729 (0.0017124% change) linmin: converged after 5 iterations. iteration 730: trace = 2.396597099071831 (0.00257748% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396577201214417 (0.000830258% change) large trace change predicted (0.00294524%) linmin: converged after 6 iterations. iteration 732: trace = 2.396506669043147 (0.00294308% change) linmin: converged after 4 iterations. iteration 733: trace = 2.39645286587445 (0.00224509% change) linmin: converged after 5 iterations. iteration 734: trace = 2.396417089640879 (0.00149289% change) linmin: converged after 4 iterations. iteration 735: trace = 2.396375339372929 (0.00174221% change) linmin: converged after 4 iterations. iteration 736: trace = 2.396353827080573 (0.000897705% change) linmin: converged after 5 iterations. iteration 737: trace = 2.396332295684323 (0.000898511% change) linmin: converged after 4 iterations. iteration 738: trace = 2.396315736672283 (0.000691017% change) linmin: converged after 6 iterations. iteration 739: trace = 2.396312630559705 (0.00012962% change) large trace change predicted (0.000333809%) linmin: converged after 4 iterations. iteration 740: trace = 2.396304633084968 (0.000333741% change) linmin: converged after 11 iterations. iteration 741: trace = 2.396297636871418 (0.000291959% change) linmin: converged after 5 iterations. iteration 742: trace = 2.396293503591808 (0.000172486% change) large trace change predicted (0.000966486%) linmin: converged after 5 iterations. iteration 743: trace = 2.396270350438698 (0.000966212% change) linmin: converged after 4 iterations. iteration 744: trace = 2.39625559887979 (0.000615607% change) large trace change predicted (0.00156451%) linmin: converged after 5 iterations. iteration 745: trace = 2.396218132081826 (0.00156357% change) linmin: converged after 7 iterations. iteration 746: trace = 2.396169474875157 (0.0020306% change) linmin: converged after 5 iterations. iteration 747: trace = 2.396147015181723 (0.000937321% change) linmin: converged after 3 iterations. iteration 748: trace = 2.396112948043588 (0.00142176% change) linmin: converged after 3 iterations. iteration 749: trace = 2.396072068815776 (0.00170608% change) linmin: converged after 5 iterations. iteration 750: trace = 2.396054100642392 (0.000749904% change) linmin: converged after 7 iterations. iteration 751: trace = 2.396027193967936 (0.00112296% change) linmin: converged after 5 iterations. iteration 752: trace = 2.396019695526097 (0.000312954% change) linmin: converged after 4 iterations. iteration 753: trace = 2.396005374020965 (0.000597722% change) linmin: converged after 3 iterations. iteration 754: trace = 2.395994483785818 (0.000454517% change) linmin: converged after 4 iterations. iteration 755: trace = 2.395989219877737 (0.000219696% change) large trace change predicted (0.000528901%) linmin: converged after 7 iterations. iteration 756: trace = 2.395976548034334 (0.000528879% change) linmin: converged after 4 iterations. iteration 757: trace = 2.395965620400097 (0.000456084% change) linmin: converged after 4 iterations. iteration 758: trace = 2.395957841866318 (0.000324652% change) linmin: converged after 17 iterations. iteration 759: trace = 2.395945239267996 (0.000525996% change) linmin: converged after 7 iterations. iteration 760: trace = 2.395939241072151 (0.000250348% change) linmin: converged after 4 iterations. iteration 761: trace = 2.395929689734224 (0.000398648% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395923084939838 (0.000275668% change) linmin: converged after 3 iterations. iteration 763: trace = 2.395910336231919 (0.000532101% change) linmin: converged after 6 iterations. iteration 764: trace = 2.395893421942324 (0.000705968% change) linmin: converged after 5 iterations. iteration 765: trace = 2.395869296266789 (0.00100696% change) linmin: converged after 5 iterations. iteration 766: trace = 2.39584030701188 (0.00120998% change) linmin: converged after 5 iterations. iteration 767: trace = 2.395803582852315 (0.00153284% change) large trace change predicted (0.00586152%) linmin: converged after 7 iterations. iteration 768: trace = 2.395663429710101 (0.00585011% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395561522454289 (0.00425391% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.395446000829811 (0.00482244% change) linmin: converged after 3 iterations. iteration 771: trace = 2.395361967144426 (0.00350812% change) linmin: converged after 4 iterations. iteration 772: trace = 2.39531206531116 (0.00208329% change) linmin: converged after 6 iterations. iteration 773: trace = 2.395303117794417 (0.000373544% change) large trace change predicted (0.00108904%) linmin: converged after 5 iterations. iteration 774: trace = 2.39527703439986 (0.00108895% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395267669889619 (0.000390958% change) linmin: converged after 7 iterations. iteration 776: trace = 2.395260993343948 (0.000278739% change) linmin: converged after 18 iterations. iteration 777: trace = 2.395252458157278 (0.000356337% change) linmin: converged after 5 iterations. iteration 778: trace = 2.395248379129995 (0.000170296% change) linmin: converged after 4 iterations. iteration 779: trace = 2.395241166995908 (0.000301102% change) linmin: converged after 4 iterations. iteration 780: trace = 2.395229930896045 (0.000469102% change) linmin: converged after 6 iterations. iteration 781: trace = 2.395226872926693 (0.000127669% change) large trace change predicted (0.000483009%) linmin: converged after 5 iterations. iteration 782: trace = 2.39521530600261 (0.000482917% change) linmin: converged after 4 iterations. iteration 783: trace = 2.395209276857976 (0.000251717% change) linmin: converged after 4 iterations. iteration 784: trace = 2.395202014511145 (0.000303203% change) linmin: converged after 3 iterations. iteration 785: trace = 2.39519001973183 (0.000500785% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395183202267537 (0.000284632% change) large trace change predicted (0.000592757%) linmin: converged after 4 iterations. iteration 787: trace = 2.39516900163785 (0.000592885% change) large trace change predicted (0.00130179%) linmin: converged after 4 iterations. iteration 788: trace = 2.395137816835079 (0.001302% change) linmin: converged after 5 iterations. iteration 789: trace = 2.395126514085332 (0.000471905% change) large trace change predicted (0.00159137%) linmin: converged after 6 iterations. iteration 790: trace = 2.395088394572273 (0.00159156% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395072452947586 (0.000665599% change) linmin: converged after 5 iterations. iteration 792: trace = 2.395050389543344 (0.000921204% change) linmin: converged after 5 iterations. iteration 793: trace = 2.39502083065363 (0.00123417% change) linmin: converged after 5 iterations. iteration 794: trace = 2.395015504693964 (0.000222377% change) large trace change predicted (0.000737543%) linmin: converged after 5 iterations. iteration 795: trace = 2.394997837856636 (0.000737653% change) linmin: converged after 5 iterations. iteration 796: trace = 2.394991097299907 (0.000281444% change) linmin: converged after 7 iterations. iteration 797: trace = 2.394987425337961 (0.000153319% change) linmin: converged after 5 iterations. iteration 798: trace = 2.394981614329743 (0.000242632% change) linmin: converged after 9 iterations. iteration 799: trace = 2.394978482568882 (0.000130764% change) large trace change predicted (0.00027808%) linmin: converged after 5 iterations. iteration 800: trace = 2.394971822877183 (0.000278069% change) linmin: converged after 5 iterations. iteration 801: trace = 2.394960933439378 (0.00045468% change) linmin: converged after 5 iterations. iteration 802: trace = 2.39495345903919 (0.000312089% change) large trace change predicted (0.00109941%) linmin: converged after 9 iterations. iteration 803: trace = 2.394927131361643 (0.0010993% change) linmin: converged after 3 iterations. iteration 804: trace = 2.394916959856176 (0.000424711% change) large trace change predicted (0.000963014%) linmin: converged after 4 iterations. iteration 805: trace = 2.394893897628245 (0.00096297% change) linmin: converged after 3 iterations. iteration 806: trace = 2.394868149668156 (0.00107512% change) linmin: converged after 5 iterations. iteration 807: trace = 2.394857819206549 (0.000431359% change) large trace change predicted (0.00144494%) linmin: converged after 5 iterations. iteration 808: trace = 2.394823208703843 (0.00144521% change) linmin: converged after 5 iterations. iteration 809: trace = 2.394803583396851 (0.000819492% change) large trace change predicted (0.0022392%) linmin: converged after 3 iterations. iteration 810: trace = 2.394749946297767 (0.00223975% change) linmin: converged after 3 iterations. iteration 811: trace = 2.394727258261355 (0.000947412% change) linmin: converged after 5 iterations. iteration 812: trace = 2.39469443776746 (0.00137054% change) linmin: converged after 4 iterations. iteration 813: trace = 2.394668229468161 (0.00109444% change) linmin: converged after 8 iterations. iteration 814: trace = 2.394658589003982 (0.000402581% change) large trace change predicted (0.000913792%) linmin: converged after 4 iterations. iteration 815: trace = 2.394636705905853 (0.000913834% change) linmin: converged after 5 iterations. iteration 816: trace = 2.394632307094083 (0.000183694% change) large trace change predicted (0.000516255%) linmin: converged after 4 iterations. iteration 817: trace = 2.394619943895298 (0.000516289% change) linmin: converged after 4 iterations. iteration 818: trace = 2.39461671943049 (0.000134655% change) large trace change predicted (0.000326782%) linmin: converged after 4 iterations. iteration 819: trace = 2.394608892271069 (0.000326865% change) linmin: converged after 4 iterations. iteration 820: trace = 2.39460260303577 (0.000262642% change) large trace change predicted (0.000660226%) linmin: converged after 4 iterations. iteration 821: trace = 2.394586792377225 (0.000660264% change) linmin: converged after 5 iterations. iteration 822: trace = 2.394576647914976 (0.000423642% change) large trace change predicted (0.0013203%) linmin: converged after 4 iterations. iteration 823: trace = 2.394545024131449 (0.00132065% change) linmin: converged after 5 iterations. iteration 824: trace = 2.394529067311698 (0.000666384% change) large trace change predicted (0.0014456%) linmin: converged after 6 iterations. iteration 825: trace = 2.394494452940763 (0.00144557% change) linmin: converged after 5 iterations. iteration 826: trace = 2.394471338000631 (0.000965342% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394442762291112 (0.00119341% change) linmin: converged after 4 iterations. iteration 828: trace = 2.3944131619857 (0.00123622% change) linmin: converged after 6 iterations. iteration 829: trace = 2.394388774008185 (0.00101854% change) linmin: converged after 4 iterations. iteration 830: trace = 2.394357474389021 (0.00130722% change) linmin: converged after 9 iterations. iteration 831: trace = 2.394348803618946 (0.000362134% change) large trace change predicted (0.000955955%) linmin: converged after 6 iterations. iteration 832: trace = 2.39432591439819 (0.000955973% change) linmin: converged after 5 iterations. iteration 833: trace = 2.39432053798157 (0.000224548% change) large trace change predicted (0.00053403%) linmin: converged after 4 iterations. iteration 834: trace = 2.394307751493337 (0.000534036% change) linmin: converged after 5 iterations. iteration 835: trace = 2.394297874893897 (0.000412504% change) linmin: converged after 6 iterations. iteration 836: trace = 2.39428188357044 (0.000667894% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394272584284218 (0.000388396% change) linmin: converged after 6 iterations. iteration 838: trace = 2.39425758168261 (0.000626606% change) linmin: converged after 6 iterations. iteration 839: trace = 2.394251619057628 (0.000249039% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394247018378142 (0.000192155% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394240730996433 (0.000262604% change) linmin: converged after 5 iterations. iteration 842: trace = 2.39423740212113 (0.000139037% change) linmin: converged after 5 iterations. iteration 843: trace = 2.394233315222262 (0.000170697% change) large trace change predicted (0.000392461%) linmin: converged after 4 iterations. iteration 844: trace = 2.394223918867664 (0.000392459% change) linmin: converged after 6 iterations. iteration 845: trace = 2.394217129012838 (0.000283594% change) large trace change predicted (0.000995882%) linmin: converged after 9 iterations. iteration 846: trace = 2.394193287726607 (0.000995791% change) linmin: converged after 5 iterations. iteration 847: trace = 2.394164659397895 (0.00119575% change) linmin: converged after 5 iterations. iteration 848: trace = 2.394146477985685 (0.000759408% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394118677440451 (0.00116119% change) linmin: converged after 8 iterations. iteration 850: trace = 2.394100569723913 (0.000756345% change) linmin: converged after 7 iterations. iteration 851: trace = 2.394085040503797 (0.000648647% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394058508701435 (0.00110823% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394050704300158 (0.000325991% change) large trace change predicted (0.000906446%) linmin: converged after 4 iterations. iteration 854: trace = 2.394029009269474 (0.00090621% change) linmin: converged after 6 iterations. iteration 855: trace = 2.394010463856044 (0.000774656% change) linmin: converged after 5 iterations. iteration 856: trace = 2.393999549743469 (0.000455893% change) linmin: converged after 5 iterations. iteration 857: trace = 2.393987397629052 (0.000507609% change) linmin: converged after 5 iterations. iteration 858: trace = 2.393979059743142 (0.000348285% change) linmin: converged after 5 iterations. iteration 859: trace = 2.393969684977145 (0.000391598% change) linmin: converged after 5 iterations. iteration 860: trace = 2.393956602342794 (0.000546484% change) linmin: converged after 6 iterations. iteration 861: trace = 2.393953517956382 (0.000128841% change) large trace change predicted (0.000386561%) linmin: converged after 3 iterations. iteration 862: trace = 2.393944264918082 (0.000386518% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393939947243642 (0.000180358% change) linmin: converged after 6 iterations. iteration 864: trace = 2.393935382371547 (0.000190685% change) large trace change predicted (0.000410599%) linmin: converged after 4 iterations. iteration 865: trace = 2.393925554810664 (0.00041052% change) linmin: converged after 3 iterations. iteration 866: trace = 2.393921401819164 (0.000173481% change) large trace change predicted (0.000897989%) linmin: converged after 5 iterations. iteration 867: trace = 2.393899912625584 (0.000897661% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393883807713726 (0.00067275% change) linmin: converged after 6 iterations. iteration 869: trace = 2.393857993439342 (0.00107835% change) linmin: converged after 3 iterations. iteration 870: trace = 2.393835476789239 (0.000940605% change) linmin: converged after 5 iterations. iteration 871: trace = 2.393823449454628 (0.000502431% change) linmin: converged after 5 iterations. iteration 872: trace = 2.393808661256593 (0.000617767% change) linmin: converged after 7 iterations. iteration 873: trace = 2.39379907792828 (0.000400339% change) linmin: converged after 7 iterations. iteration 874: trace = 2.393796378856954 (0.000112753% change) large trace change predicted (0.000250074%) linmin: converged after 6 iterations. iteration 875: trace = 2.393790392806315 (0.000250065% change) linmin: converged after 5 iterations. iteration 876: trace = 2.393788677586883 (7.16529e-05% change) large trace change predicted (0.000176967%) linmin: converged after 4 iterations. iteration 877: trace = 2.393784441338881 (0.000176968% change) linmin: converged after 4 iterations. iteration 878: trace = 2.393781925185881 (0.000105112% change) linmin: converged after 3 iterations. iteration 879: trace = 2.393779396618886 (0.000105631% change) linmin: converged after 9 iterations. iteration 880: trace = 2.393775749376786 (0.000152363% change) linmin: converged after 4 iterations. iteration 881: trace = 2.393773369391051 (9.9424e-05% change) linmin: converged after 8 iterations. iteration 882: trace = 2.393771473512882 (7.92004e-05% change) linmin: converged after 5 iterations. iteration 883: trace = 2.393768005206534 (0.000144889% change) linmin: converged after 5 iterations. iteration 884: trace = 2.393766805203668 (5.01303e-05% change) large trace change predicted (0.000131512%) linmin: converged after 7 iterations. iteration 885: trace = 2.393763657446417 (0.000131498% change) linmin: converged after 4 iterations. iteration 886: trace = 2.393762139110225 (6.34288e-05% change) large trace change predicted (0.000188711%) linmin: converged after 6 iterations. iteration 887: trace = 2.393757622585064 (0.000188679% change) linmin: converged after 5 iterations. iteration 888: trace = 2.393755058787127 (0.000107104% change) large trace change predicted (0.000235285%) linmin: converged after 5 iterations. iteration 889: trace = 2.393749428029932 (0.000235227% change) large trace change predicted (0.000489323%) linmin: converged after 5 iterations. iteration 890: trace = 2.393737717294975 (0.000489223% change) linmin: converged after 10 iterations. iteration 891: trace = 2.393733905186699 (0.000159254% change) large trace change predicted (0.000441211%) linmin: converged after 5 iterations. iteration 892: trace = 2.393723346536241 (0.000441096% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393714695224546 (0.000361417% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393709086918766 (0.000234293% change) linmin: converged after 4 iterations. iteration 895: trace = 2.393700296752916 (0.00036722% change) linmin: converged after 5 iterations. iteration 896: trace = 2.393697932823406 (9.87563e-05% change) linmin: converged after 6 iterations. iteration 897: trace = 2.39369457942503 (0.000140093% change) linmin: converged after 5 iterations. iteration 898: trace = 2.393691330580075 (0.000135725% change) linmin: converged after 9 iterations. iteration 899: trace = 2.393690362010347 (4.04634e-05% change) large trace change predicted (9.00742e-05%) linmin: converged after 5 iterations. iteration 900: trace = 2.393688205903 (9.00747e-05% change) linmin: converged after 4 iterations. iteration 901: trace = 2.393687125237036 (4.51465e-05% change) linmin: converged after 6 iterations. iteration 902: trace = 2.393686390307186 (3.07028e-05% change) large trace change predicted (7.37474e-05%) linmin: converged after 5 iterations. iteration 903: trace = 2.393684624996794 (7.37486e-05% change) linmin: converged after 8 iterations. iteration 904: trace = 2.39368388729822 (3.08185e-05% change) large trace change predicted (6.48271e-05%) linmin: converged after 5 iterations. iteration 905: trace = 2.393682335492059 (6.48292e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393681053304419 (5.35655e-05% change) linmin: converged after 6 iterations. iteration 907: trace = 2.393680125376674 (3.87657e-05% change) large trace change predicted (0.000105541%) linmin: converged after 7 iterations. iteration 908: trace = 2.393677599055989 (0.000105541% change) linmin: converged after 6 iterations. iteration 909: trace = 2.393676660422464 (3.9213e-05% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.393675256822327 (5.86379e-05% change) linmin: converged after 8 iterations. iteration 911: trace = 2.39367401860537 (5.17287e-05% change) linmin: converged after 5 iterations. iteration 912: trace = 2.393672036272664 (8.28155e-05% change) linmin: converged after 4 iterations. iteration 913: trace = 2.3936712218868 (3.40225e-05% change) large trace change predicted (7.80272e-05%) linmin: converged after 13 iterations. iteration 914: trace = 2.393669354254907 (7.80238e-05% change) linmin: converged after 7 iterations. iteration 915: trace = 2.393667347968376 (8.38164e-05% change) linmin: converged after 4 iterations. iteration 916: trace = 2.393666027571924 (5.51621e-05% change) large trace change predicted (0.000176944%) linmin: converged after 3 iterations. iteration 917: trace = 2.393661792224028 (0.00017694% change) linmin: converged after 8 iterations. iteration 918: trace = 2.393659977869249 (7.57983e-05% change) large trace change predicted (0.000261705%) linmin: converged after 4 iterations. iteration 919: trace = 2.393653713153222 (0.000261722% change) large trace change predicted (0.000525329%) linmin: converged after 4 iterations. iteration 920: trace = 2.393641139173828 (0.000525306% change) linmin: converged after 5 iterations. iteration 921: trace = 2.393637173281394 (0.000165685% change) large trace change predicted (0.000587883%) linmin: converged after 2 iterations. iteration 922: trace = 2.393623101441448 (0.000587887% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393617378110959 (0.000239108% change) linmin: converged after 5 iterations. iteration 924: trace = 2.393610570184294 (0.00028442% change) linmin: converged after 2 iterations. iteration 925: trace = 2.393606976367428 (0.000150142% change) linmin: converged after 5 iterations. iteration 926: trace = 2.393604915507091 (8.60986e-05% change) linmin: converged after 5 iterations. iteration 927: trace = 2.393602662574684 (9.4123e-05% change) linmin: converged after 6 iterations. iteration 928: trace = 2.393599526707307 (0.00013101% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393598544621478 (4.10297e-05% change) large trace change predicted (0.000228181%) linmin: converged after 6 iterations. iteration 930: trace = 2.393593082408059 (0.000228201% change) linmin: converged after 4 iterations. iteration 931: trace = 2.393590793397207 (9.56308e-05% change) linmin: converged after 6 iterations. iteration 932: trace = 2.39358866122074 (8.90786e-05% change) linmin: converged after 6 iterations. iteration 933: trace = 2.393585957391196 (0.000112961% change) linmin: converged after 11 iterations. iteration 934: trace = 2.393584751895689 (5.03636e-05% change) large trace change predicted (0.000126726%) linmin: converged after 4 iterations. iteration 935: trace = 2.393581718485331 (0.000126731% change) linmin: converged after 4 iterations. iteration 936: trace = 2.393577778260109 (0.000164616% change) linmin: converged after 4 iterations. iteration 937: trace = 2.393575002518244 (0.000115966% change) large trace change predicted (0.000383097%) linmin: converged after 4 iterations. iteration 938: trace = 2.393565832420546 (0.000383114% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393561807898419 (0.000168139% change) large trace change predicted (0.000462652%) linmin: converged after 6 iterations. iteration 940: trace = 2.393550733222387 (0.000462687% change) linmin: converged after 3 iterations. iteration 941: trace = 2.393535304928824 (0.00064458% change) linmin: converged after 5 iterations. iteration 942: trace = 2.393531059929306 (0.000177353% change) large trace change predicted (0.000688658%) linmin: converged after 4 iterations. iteration 943: trace = 2.393514572929078 (0.000688817% change) linmin: converged after 7 iterations. iteration 944: trace = 2.393511712295858 (0.000119516% change) large trace change predicted (0.000310619%) linmin: converged after 7 iterations. iteration 945: trace = 2.393504277209264 (0.000310636% change) linmin: converged after 3 iterations. iteration 946: trace = 2.393499975791604 (0.000179712% change) linmin: converged after 8 iterations. iteration 947: trace = 2.393497853822178 (8.86555e-05% change) linmin: converged after 9 iterations. iteration 948: trace = 2.393493693150467 (0.000173832% change) linmin: converged after 5 iterations. iteration 949: trace = 2.393492334561417 (5.67618e-05% change) large trace change predicted (0.000187199%) linmin: converged after 5 iterations. iteration 950: trace = 2.39348785414673 (0.000187192% change) linmin: converged after 4 iterations. iteration 951: trace = 2.39348587582906 (8.26542e-05% change) large trace change predicted (0.000178629%) linmin: converged after 7 iterations. iteration 952: trace = 2.393481600247808 (0.000178634% change) linmin: converged after 5 iterations. iteration 953: trace = 2.39347692247818 (0.000195438% change) linmin: converged after 11 iterations. iteration 954: trace = 2.393473655133765 (0.00013651% change) large trace change predicted (0.000313851%) linmin: converged after 4 iterations. iteration 955: trace = 2.393466142652732 (0.000313874% change) linmin: converged after 4 iterations. iteration 956: trace = 2.393463868046369 (9.5034e-05% change) large trace change predicted (0.000418813%) linmin: converged after 8 iterations. iteration 957: trace = 2.393453843375263 (0.000418836% change) linmin: converged after 5 iterations. iteration 958: trace = 2.39344901599197 (0.000201691% change) linmin: converged after 11 iterations. iteration 959: trace = 2.393440729339197 (0.000346223% change) linmin: converged after 2 iterations. iteration 960: trace = 2.393428348372357 (0.000517289% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393422316209366 (0.000252031% change) large trace change predicted (0.000541434%) linmin: converged after 5 iterations. iteration 962: trace = 2.393409356283079 (0.000541482% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393401263835993 (0.000338114% change) linmin: converged after 5 iterations. iteration 964: trace = 2.393394561352574 (0.00028004% change) linmin: converged after 4 iterations. iteration 965: trace = 2.393386505970443 (0.000336568% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393385190822643 (5.49493e-05% change) large trace change predicted (0.000118563%) linmin: converged after 16 iterations. iteration 967: trace = 2.393382353086626 (0.000118566% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393381181893887 (4.89346e-05% change) linmin: converged after 7 iterations. iteration 969: trace = 2.3933805328801 (2.7117e-05% change) large trace change predicted (0.000181798%) linmin: converged after 8 iterations. iteration 970: trace = 2.393376181817789 (0.000181796% change) linmin: converged after 9 iterations. iteration 971: trace = 2.393373223172943 (0.000123618% change) large trace change predicted (0.000492744%) linmin: converged after 2 iterations. iteration 972: trace = 2.393361429904624 (0.000492748% change) linmin: converged after 6 iterations. iteration 973: trace = 2.393353646190783 (0.000325222% change) linmin: converged after 2 iterations. iteration 974: trace = 2.393347058955424 (0.000275231% change) large trace change predicted (0.000950491%) linmin: converged after 5 iterations. iteration 975: trace = 2.393324316201265 (0.000950253% change) linmin: converged after 5 iterations. iteration 976: trace = 2.393304861281281 (0.000812886% change) linmin: converged after 6 iterations. iteration 977: trace = 2.393285512887282 (0.000808442% change) linmin: converged after 7 iterations. iteration 978: trace = 2.393257231805932 (0.00118169% change) linmin: converged after 8 iterations. iteration 979: trace = 2.393240470480591 (0.000700359% change) resetting CG direction... linmin: converged after 6 iterations. iteration 980: trace = 2.393229675769142 (0.000451051% change) linmin: converged after 2 iterations. iteration 981: trace = 2.393213328298975 (0.000683074% change) linmin: converged after 6 iterations. iteration 982: trace = 2.393206244075379 (0.000296013% change) linmin: converged after 12 iterations. iteration 983: trace = 2.393195714076674 (0.000439996% change) linmin: converged after 4 iterations. iteration 984: trace = 2.393181283727592 (0.000602976% change) linmin: converged after 5 iterations. iteration 985: trace = 2.393178078158251 (0.000133946% change) linmin: converged after 6 iterations. iteration 986: trace = 2.393172412926989 (0.000236724% change) linmin: converged after 9 iterations. iteration 987: trace = 2.393168218120694 (0.000175282% change) linmin: converged after 5 iterations. iteration 988: trace = 2.393165802343699 (0.000100945% change) linmin: converged after 5 iterations. iteration 989: trace = 2.393163810951547 (8.32117e-05% change) linmin: converged after 8 iterations. iteration 990: trace = 2.393163372187489 (1.83341e-05% change) linmin: converged after 4 iterations. iteration 991: trace = 2.393162746304638 (2.6153e-05% change) linmin: converged after 9 iterations. iteration 992: trace = 2.393162189396757 (2.32708e-05% change) linmin: converged after 8 iterations. iteration 993: trace = 2.393161592991656 (2.49212e-05% change) large trace change predicted (7.46428e-05%) linmin: converged after 5 iterations. iteration 994: trace = 2.393159806696539 (7.46417e-05% change) linmin: converged after 6 iterations. iteration 995: trace = 2.3931591415583 (2.77933e-05% change) large trace change predicted (0.000156041%) linmin: converged after 12 iterations. iteration 996: trace = 2.393155407416231 (0.000156034% change) linmin: converged after 5 iterations. iteration 997: trace = 2.393152484432109 (0.000122139% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393150548174597 (8.09083e-05% change) large trace change predicted (0.00018734%) linmin: converged after 6 iterations. iteration 999: trace = 2.393146065288985 (0.000187322% change) linmin: converged after 12 iterations. iteration 1000: trace = 2.393144529208922 (6.41867e-05% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.393141662350265 (0.000119795% change) linmin: converged after 8 iterations. iteration 1002: trace = 2.393138838538488 (0.000117996% change) linmin: converged after 11 iterations. iteration 1003: trace = 2.393137228755537 (6.72666e-05% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.39313520329853 (8.46361e-05% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.393133207704009 (8.33883e-05% change) linmin: converged after 9 iterations. iteration 1006: trace = 2.393132610543489 (2.49531e-05% change) large trace change predicted (5.47737e-05%) linmin: converged after 3 iterations. iteration 1007: trace = 2.393131299809351 (5.47707e-05% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.393130886426975 (1.72737e-05% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.393130103895016 (3.26991e-05% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393129478933514 (2.61148e-05% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.393129195091729 (1.18607e-05% change) large trace change predicted (2.697e-05%) linmin: converged after 4 iterations. iteration 1012: trace = 2.393128549667149 (2.69699e-05% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.393127567135252 (4.10564e-05% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.393126731813706 (3.4905e-05% change) large trace change predicted (0.000102834%) linmin: converged after 4 iterations. iteration 1015: trace = 2.39312427099151 (0.000102829% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.393123346184447 (3.86443e-05% change) large trace change predicted (9.30866e-05%) linmin: converged after 4 iterations. iteration 1017: trace = 2.393121118598962 (9.30828e-05% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.39311856829342 (0.000106568% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.393117514873111 (4.40187e-05% change) large trace change predicted (0.000109838%) linmin: converged after 10 iterations. iteration 1020: trace = 2.393114886671852 (0.000109823% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.393114448232042 (1.83209e-05% change) large trace change predicted (5.39211e-05%) linmin: converged after 6 iterations. iteration 1022: trace = 2.393113157892465 (5.39189e-05% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.393112739277629 (1.74925e-05% change) linmin: converged after 10 iterations. iteration 1024: trace = 2.393112439682988 (1.2519e-05% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.393111959127437 (2.00808e-05% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.393111692572611 (1.11384e-05% change) linmin: converged after 6 iterations. iteration 1027: trace = 2.39311118731892 (2.11128e-05% change) linmin: converged after 12 iterations. iteration 1028: trace = 2.393110553335849 (2.6492e-05% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.393110302941346 (1.04631e-05% change) large trace change predicted (2.87393e-05%) linmin: converged after 4 iterations. iteration 1030: trace = 2.39310961519759 (2.87385e-05% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.393109367328365 (1.03576e-05% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.393109101909643 (1.1091e-05% change) large trace change predicted (2.41367e-05%) linmin: converged after 4 iterations. iteration 1033: trace = 2.393108524310404 (2.41359e-05% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.393108349375666 (7.30994e-06% change) large trace change predicted (4.05937e-05%) linmin: converged after 12 iterations. iteration 1035: trace = 2.393107377921311 (4.05938e-05% change) linmin: converged after 6 iterations. iteration 1036: trace = 2.393106544994858 (3.48052e-05% change) linmin: converged after 8 iterations. iteration 1037: trace = 2.393105312093327 (5.15189e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39310418081785 (4.72723e-05% change) linmin: converged after 16 iterations. iteration 1039: trace = 2.393103625918671 (2.31874e-05% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.393102818169142 (3.37532e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393102591058088 (9.49023e-06% change) linmin: converged after 5 iterations. iteration 1042: trace = 2.393102220825425 (1.54708e-05% change) linmin: converged after 10 iterations. iteration 1043: trace = 2.39310201524262 (8.59064e-06% change) linmin: converged after 7 iterations. iteration 1044: trace = 2.393101887595564 (5.33396e-06% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.393101742967519 (6.04354e-06% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.393101662070973 (3.38041e-06% change) linmin: converged after 13 iterations. iteration 1047: trace = 2.393101511426409 (6.29495e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393101376643174 (5.63216e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393101226801514 (6.2614e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.39310112836271 (4.11344e-06% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.393100994866044 (5.5784e-06% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.39310081613479 (7.46861e-06% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.393100753023583 (2.63721e-06% change) large trace change predicted (6.22506e-06%) linmin: converged after 6 iterations. iteration 1054: trace = 2.393100604051623 (6.22506e-06% change) linmin: converged after 22 iterations. iteration 1055: trace = 2.393100417964137 (7.776e-06% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.393100307822921 (4.60245e-06% change) large trace change predicted (1.56514e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393099933284774 (1.56508e-05% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.393099811867278 (5.07365e-06% change) large trace change predicted (3.74113e-05%) linmin: converged after 6 iterations. iteration 1059: trace = 2.393098916623484 (3.74094e-05% change) linmin: converged after 5 iterations. iteration 1060: trace = 2.393098356388159 (2.34105e-05% change) linmin: converged after 12 iterations. iteration 1061: trace = 2.393097485111014 (3.64079e-05% change) linmin: converged after 2 iterations. iteration 1062: trace = 2.393096449267765 (4.32846e-05% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.393096161268076 (1.20346e-05% change) large trace change predicted (3.25804e-05%) linmin: converged after 5 iterations. iteration 1064: trace = 2.393095381571845 (3.25811e-05% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.393095163875945 (9.09683e-06% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393094867597897 (1.23805e-05% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.393094554655817 (1.30769e-05% change) linmin: converged after 5 iterations. iteration 1068: trace = 2.393094384542212 (7.10852e-06% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.39309407001425 (1.31431e-05% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.393093544973669 (2.19398e-05% change) linmin: converged after 7 iterations. iteration 1071: trace = 2.3930933717581 (7.23814e-06% change) large trace change predicted (2.03637e-05%) linmin: converged after 4 iterations. iteration 1072: trace = 2.393092884426113 (2.03641e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.39309270613377 (7.45029e-06% change) linmin: converged after 8 iterations. iteration 1074: trace = 2.393092445736498 (1.08812e-05% change) linmin: converged after 5 iterations. iteration 1075: trace = 2.393092092814343 (1.47475e-05% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.393091910411958 (7.62204e-06% change) large trace change predicted (2.81377e-05%) linmin: converged after 6 iterations. iteration 1077: trace = 2.393091237038153 (2.81382e-05% change) linmin: converged after 6 iterations. iteration 1078: trace = 2.393090863867451 (1.55937e-05% change) large trace change predicted (5.92594e-05%) linmin: converged after 3 iterations. iteration 1079: trace = 2.393089445617551 (5.92644e-05% change) linmin: converged after 5 iterations. iteration 1080: trace = 2.393088601198425 (3.52857e-05% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.393087656900365 (3.94594e-05% change) linmin: converged after 2 iterations. iteration 1082: trace = 2.393086343648524 (5.48769e-05% change) linmin: converged after 7 iterations. iteration 1083: trace = 2.393085899772788 (1.85483e-05% change) large trace change predicted (6.43883e-05%) linmin: converged after 6 iterations. iteration 1084: trace = 2.393084358843782 (6.43909e-05% change) linmin: converged after 6 iterations. iteration 1085: trace = 2.393084088825352 (1.12833e-05% change) large trace change predicted (2.65218e-05%) linmin: converged after 4 iterations. iteration 1086: trace = 2.393083454134272 (2.65219e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393083083349222 (1.5494e-05% change) linmin: converged after 5 iterations. iteration 1088: trace = 2.393082944869308 (5.78667e-06% change) large trace change predicted (1.38278e-05%) linmin: converged after 4 iterations. iteration 1089: trace = 2.393082613949314 (1.38282e-05% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393082501702558 (4.69047e-06% change) large trace change predicted (1.70856e-05%) linmin: converged after 4 iterations. iteration 1091: trace = 2.393082092816134 (1.70862e-05% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.393081911922593 (7.55902e-06% change) large trace change predicted (1.66515e-05%) linmin: converged after 5 iterations. iteration 1093: trace = 2.393081513423216 (1.66521e-05% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.393081073514513 (1.83825e-05% change) linmin: converged after 9 iterations. iteration 1095: trace = 2.393080712540959 (1.50841e-05% change) large trace change predicted (3.16772e-05%) linmin: converged after 5 iterations. iteration 1096: trace = 2.393079954486825 (3.16769e-05% change) linmin: converged after 14 iterations. iteration 1097: trace = 2.393079637526969 (1.32449e-05% change) large trace change predicted (4.80173e-05%) linmin: converged after 7 iterations. iteration 1098: trace = 2.393078488439423 (4.80171e-05% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.393078107331678 (1.59254e-05% change) large trace change predicted (4.15036e-05%) linmin: converged after 4 iterations. iteration 1100: trace = 2.393077114143851 (4.15025e-05% change) linmin: converged after 8 iterations. iteration 1101: trace = 2.393076413745305 (2.92677e-05% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.393075444196486 (4.05148e-05% change) linmin: converged after 2 iterations. iteration 1103: trace = 2.393073990404941 (6.07499e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393073504941876 (2.02862e-05% change) large trace change predicted (5.45688e-05%) linmin: converged after 5 iterations. iteration 1105: trace = 2.393072199021882 (5.45708e-05% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.393071953318385 (1.02673e-05% change) linmin: converged after 5 iterations. iteration 1107: trace = 2.393071470072697 (2.01935e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393071319652051 (6.28567e-06% change) linmin: converged after 5 iterations. iteration 1109: trace = 2.393071198125446 (5.07827e-06% change) linmin: converged after 9 iterations. iteration 1110: trace = 2.393070965954303 (9.70181e-06% change) linmin: converged after 5 iterations. iteration 1111: trace = 2.393070889654453 (3.18837e-06% change) large trace change predicted (2.22932e-05%) linmin: converged after 4 iterations. iteration 1112: trace = 2.393070356181004 (2.22924e-05% change) linmin: converged after 7 iterations. iteration 1113: trace = 2.393069968449168 (1.62023e-05% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.393069202793356 (3.19947e-05% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.393068301127172 (3.76782e-05% change) linmin: converged after 13 iterations. iteration 1116: trace = 2.393067722048569 (2.41982e-05% change) large trace change predicted (9.19829e-05%) linmin: converged after 4 iterations. iteration 1117: trace = 2.393065520867552 (9.19816e-05% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.393064689941259 (3.47223e-05% change) large trace change predicted (9.60855e-05%) linmin: converged after 4 iterations. iteration 1119: trace = 2.393062390556415 (9.60854e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1120: trace = 2.393061907647628 (2.01795e-05% change) linmin: converged after 5 iterations. iteration 1121: trace = 2.393061048252754 (3.59119e-05% change) linmin: converged after 14 iterations. iteration 1122: trace = 2.393059872855201 (4.91169e-05% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.393059320051554 (2.31003e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393058266865268 (4.401e-05% change) linmin: converged after 3 iterations. iteration 1125: trace = 2.393057894337316 (1.5567e-05% change) linmin: converged after 12 iterations. iteration 1126: trace = 2.393057397209215 (2.07738e-05% change) linmin: converged after 9 iterations. iteration 1127: trace = 2.393056929408738 (1.95482e-05% change) linmin: converged after 8 iterations. iteration 1128: trace = 2.393056793196666 (5.69197e-06% change) linmin: converged after 7 iterations. iteration 1129: trace = 2.393056636330743 (6.55504e-06% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.393056577282556 (2.46748e-06% change) linmin: converged after 9 iterations. iteration 1131: trace = 2.393056481197897 (4.01514e-06% change) linmin: converged after 3 iterations. iteration 1132: trace = 2.393056313970586 (6.98802e-06% change) linmin: converged after 5 iterations. iteration 1133: trace = 2.393056213978011 (4.17845e-06% change) large trace change predicted (9.53275e-06%) linmin: converged after 16 iterations. iteration 1134: trace = 2.393055985856769 (9.53263e-06% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.393055885516753 (4.19297e-06% change) large trace change predicted (1.62786e-05%) linmin: converged after 4 iterations. iteration 1136: trace = 2.393055495972824 (1.62781e-05% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.393055147975143 (1.4542e-05% change) linmin: converged after 9 iterations. iteration 1138: trace = 2.393054722299685 (1.7788e-05% change) linmin: converged after 7 iterations. iteration 1139: trace = 2.393053983487088 (3.08732e-05% change) linmin: converged after 6 iterations. iteration 1140: trace = 2.393053620070797 (1.51863e-05% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.393052957426222 (2.76903e-05% change) linmin: converged after 8 iterations. iteration 1142: trace = 2.393052809805668 (6.16871e-06% change) linmin: converged after 6 iterations. iteration 1143: trace = 2.39305254720378 (1.09735e-05% change) linmin: converged after 12 iterations. iteration 1144: trace = 2.393052428393714 (4.96479e-06% change) linmin: converged after 7 iterations. iteration 1145: trace = 2.393052292326862 (5.68591e-06% change) linmin: converged after 21 iterations. iteration 1146: trace = 2.393052178997177 (4.73578e-06% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.393052085976461 (3.88712e-06% change) linmin: converged after 15 iterations. iteration 1148: trace = 2.393051973227678 (4.71151e-06% change) linmin: converged after 18 iterations. iteration 1149: trace = 2.393051919144841 (2.25999e-06% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.393051817817489 (4.23423e-06% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.393051757785931 (2.50858e-06% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393051650474429 (4.4843e-06% change) linmin: converged after 9 iterations. iteration 1153: trace = 2.393051547210451 (4.31516e-06% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393051497212539 (2.0893e-06% change) large trace change predicted (8.09282e-06%) linmin: converged after 4 iterations. iteration 1155: trace = 2.393051303548169 (8.09278e-06% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.393051246490884 (2.38429e-06% change) large trace change predicted (1.28021e-05%) linmin: converged after 4 iterations. iteration 1157: trace = 2.393050940136558 (1.28018e-05% change) linmin: converged after 5 iterations. iteration 1158: trace = 2.393050633913529 (1.27963e-05% change) linmin: converged after 5 iterations. iteration 1159: trace = 2.393050426135584 (8.68256e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393050014770256 (1.719e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393049863877453 (6.30546e-06% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.393049672894141 (7.98075e-06% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.393049558484056 (4.78093e-06% change) linmin: converged after 10 iterations. iteration 1164: trace = 2.393049526234221 (1.34765e-06% change) large trace change predicted (2.74476e-06%) linmin: converged after 4 iterations. iteration 1165: trace = 2.393049460550655 (2.74476e-06% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393049390118983 (2.94318e-06% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.393049363325281 (1.11965e-06% change) large trace change predicted (4.35704e-06%) linmin: converged after 7 iterations. iteration 1168: trace = 2.393049259059905 (4.35701e-06% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.393049230382702 (1.19835e-06% change) large trace change predicted (3.16191e-06%) linmin: converged after 4 iterations. iteration 1170: trace = 2.393049154716225 (3.16193e-06% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.393049072669999 (3.42852e-06% change) linmin: converged after 5 iterations. iteration 1172: trace = 2.39304903426945 (1.60467e-06% change) large trace change predicted (4.05615e-06%) linmin: converged after 4 iterations. iteration 1173: trace = 2.393048937205764 (4.05607e-06% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.393048855806208 (3.4015e-06% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.393048800788928 (2.29905e-06% change) large trace change predicted (4.81272e-06%) linmin: converged after 3 iterations. iteration 1176: trace = 2.393048685618508 (4.81271e-06% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.393048647964936 (1.57346e-06% change) large trace change predicted (7.01633e-06%) linmin: converged after 7 iterations. iteration 1178: trace = 2.393048480059437 (7.01638e-06% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.393048398886548 (3.39203e-06% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.393048327179467 (2.99647e-06% change) linmin: converged after 5 iterations. iteration 1181: trace = 2.393048187641832 (5.83096e-06% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.393048155801966 (1.33052e-06% change) large trace change predicted (2.89437e-06%) linmin: converged after 4 iterations. iteration 1183: trace = 2.393048086539163 (2.89433e-06% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.393048059027911 (1.14963e-06% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.393048038484825 (8.58449e-07% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.393048023757459 (6.15423e-07% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393048016414866 (3.0683e-07% change) large trace change predicted (7.18518e-07%) linmin: converged after 5 iterations. iteration 1188: trace = 2.393047999219796 (7.18543e-07% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.393047967625424 (1.32026e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393047947561436 (8.38428e-07% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393047923667888 (9.98457e-07% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393047916988678 (2.79109e-07% change) linmin: converged after 5 iterations. iteration 1193: trace = 2.393047904038039 (5.41178e-07% change) large trace change predicted (1.17316e-06%) linmin: converged after 4 iterations. iteration 1194: trace = 2.393047875963763 (1.17316e-06% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393047864009566 (4.99539e-07% change) large trace change predicted (2.01139e-06%) linmin: converged after 4 iterations. iteration 1196: trace = 2.393047815875889 (2.0114e-06% change) linmin: converged after 9 iterations. iteration 1197: trace = 2.393047748350392 (2.82174e-06% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.393047695124176 (2.2242e-06% change) large trace change predicted (5.32856e-06%) linmin: converged after 7 iterations. iteration 1199: trace = 2.393047567611163 (5.32848e-06% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.393047498561061 (2.88545e-06% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.393047415199051 (3.48351e-06% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.393047295272089 (5.01147e-06% change) linmin: converged after 13 iterations. iteration 1203: trace = 2.393047271790389 (9.81247e-07% change) large trace change predicted (4.26972e-06%) linmin: converged after 4 iterations. iteration 1204: trace = 2.393047169613124 (4.26976e-06% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.393047101037706 (2.86561e-06% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393047070561835 (1.27352e-06% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393047014100219 (2.3594e-06% change) linmin: converged after 7 iterations. iteration 1208: trace = 2.393046964400122 (2.07685e-06% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393046922481839 (1.75167e-06% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.393046855610147 (2.79442e-06% change) linmin: converged after 10 iterations. iteration 1211: trace = 2.393046822384393 (1.38843e-06% change) linmin: converged after 12 iterations. iteration 1212: trace = 2.393046777420315 (1.87895e-06% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.3930467559094 (8.98892e-07% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.393046714283628 (1.73945e-06% change) linmin: converged after 4 iterations. iteration 1215: trace = 2.393046647159569 (2.80496e-06% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.393046618044147 (1.21667e-06% change) large trace change predicted (5.04378e-06%) linmin: converged after 4 iterations. iteration 1217: trace = 2.393046497343111 (5.04382e-06% change) linmin: converged after 7 iterations. iteration 1218: trace = 2.393046441524758 (2.33252e-06% change) large trace change predicted (6.59313e-06%) linmin: converged after 12 iterations. iteration 1219: trace = 2.393046283746031 (6.59322e-06% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393046073002106 (8.80651e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393045965161225 (4.50643e-06% change) large trace change predicted (9.36847e-06%) linmin: converged after 4 iterations. iteration 1222: trace = 2.393045740967892 (9.36853e-06% change) linmin: converged after 8 iterations. iteration 1223: trace = 2.393045694803439 (1.92911e-06% change) large trace change predicted (4.34704e-06%) linmin: converged after 4 iterations. iteration 1224: trace = 2.393045590776737 (4.34704e-06% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393045530747066 (2.50851e-06% change) linmin: converged after 7 iterations. iteration 1226: trace = 2.393045508600661 (9.25449e-07% change) large trace change predicted (2.14741e-06%) linmin: converged after 3 iterations. iteration 1227: trace = 2.393045457212558 (2.14739e-06% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.393045420472612 (1.53528e-06% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393045381572905 (1.62553e-06% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.393045325525357 (2.3421e-06% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.393045305231889 (8.48019e-07% change) large trace change predicted (2.99011e-06%) linmin: converged after 4 iterations. iteration 1232: trace = 2.393045233676639 (2.99013e-06% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.393045206440279 (1.13815e-06% change) large trace change predicted (2.46104e-06%) linmin: converged after 5 iterations. iteration 1234: trace = 2.393045147546375 (2.46104e-06% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.393045048343727 (4.14546e-06% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.393045015027994 (1.39219e-06% change) large trace change predicted (8.42607e-06%) linmin: converged after 17 iterations. iteration 1237: trace = 2.393044813384 (8.42625e-06% change) linmin: converged after 7 iterations. iteration 1238: trace = 2.393044734446117 (3.29864e-06% change) large trace change predicted (1.16298e-05%) linmin: converged after 5 iterations. iteration 1239: trace = 2.393044456127801 (1.16303e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.393044306117916 (6.26858e-06% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.393044184071984 (5.10003e-06% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.393043998039914 (7.77387e-06% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.393043955033063 (1.79716e-06% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.393043872842907 (3.43454e-06% change) linmin: converged after 9 iterations. iteration 1245: trace = 2.393043841931693 (1.29171e-06% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.393043786965595 (2.29691e-06% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.393043757389542 (1.23592e-06% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.393043734574912 (9.53373e-07% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393043710572849 (1.00299e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393043694718971 (6.62498e-07% change) large trace change predicted (2.86878e-06%) linmin: converged after 5 iterations. iteration 1251: trace = 2.393043626068016 (2.86877e-06% change) linmin: converged after 5 iterations. iteration 1252: trace = 2.39304358606922 (1.67146e-06% change) large trace change predicted (5.93772e-06%) linmin: converged after 5 iterations. iteration 1253: trace = 2.393043443977348 (5.93771e-06% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393043331829206 (4.68642e-06% change) linmin: converged after 18 iterations. iteration 1255: trace = 2.393043156272861 (7.33611e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.393042937491655 (9.14238e-06% change) linmin: converged after 5 iterations. iteration 1257: trace = 2.393042835473432 (4.26312e-06% change) linmin: converged after 4 iterations. iteration 1258: trace = 2.393042688906305 (6.12472e-06% change) linmin: converged after 9 iterations. iteration 1259: trace = 2.393042580942389 (4.51158e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393042494444168 (3.61457e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.39304237227144 (5.10533e-06% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.393042243073924 (5.39888e-06% change) linmin: converged after 16 iterations. iteration 1263: trace = 2.393042128941284 (4.76935e-06% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.393041958163209 (7.13644e-06% change) linmin: converged after 5 iterations. iteration 1265: trace = 2.393041922584542 (1.48675e-06% change) large trace change predicted (3.82482e-06%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393041831054881 (3.82482e-06% change) linmin: converged after 6 iterations. iteration 1267: trace = 2.393041791783825 (1.64105e-06% change) linmin: converged after 5 iterations. iteration 1268: trace = 2.393041778601877 (5.50845e-07% change) linmin: converged after 18 iterations. iteration 1269: trace = 2.393041760731506 (7.46764e-07% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.393041742172457 (7.75542e-07% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.393041734290477 (3.29371e-07% change) large trace change predicted (1.24361e-06%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393041704530217 (1.24362e-06% change) linmin: converged after 6 iterations. iteration 1273: trace = 2.39304169177772 (5.32899e-07% change) large trace change predicted (1.25106e-06%) linmin: converged after 4 iterations. iteration 1274: trace = 2.393041661839282 (1.25106e-06% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.393041609769208 (2.1759e-06% change) linmin: converged after 5 iterations. iteration 1276: trace = 2.393041577259654 (1.3585e-06% change) large trace change predicted (3.94594e-06%) linmin: converged after 4 iterations. iteration 1277: trace = 2.393041482832614 (3.9459e-06% change) linmin: converged after 12 iterations. iteration 1278: trace = 2.393041396969246 (3.58804e-06% change) linmin: converged after 10 iterations. iteration 1279: trace = 2.393041337007489 (2.50567e-06% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.393041261513101 (3.15475e-06% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.393041240384274 (8.82928e-07% change) linmin: converged after 5 iterations. iteration 1282: trace = 2.393041211258452 (1.2171e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393041183268687 (1.16963e-06% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.393041174510145 (3.66e-07% change) large trace change predicted (9.83093e-07%) linmin: converged after 4 iterations. iteration 1285: trace = 2.393041150984479 (9.83087e-07% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393041146117166 (2.03394e-07% change) large trace change predicted (7.89198e-07%) linmin: converged after 4 iterations. iteration 1287: trace = 2.393041127231414 (7.89195e-07% change) linmin: converged after 5 iterations. iteration 1288: trace = 2.393041118407331 (3.68739e-07% change) linmin: converged after 9 iterations. iteration 1289: trace = 2.393041107212448 (4.6781e-07% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.393041092008245 (6.35351e-07% change) linmin: converged after 4 iterations. iteration 1291: trace = 2.393041086023486 (2.5009e-07% change) large trace change predicted (7.32309e-07%) linmin: converged after 4 iterations. iteration 1292: trace = 2.393041068498797 (7.32319e-07% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.393041055230614 (5.54449e-07% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393041037293166 (7.49567e-07% change) large trace change predicted (1.5871e-06%) linmin: converged after 8 iterations. iteration 1295: trace = 2.393040999313733 (1.58708e-06% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.393040977636887 (9.05828e-07% change) large trace change predicted (1.98654e-06%) linmin: converged after 6 iterations. iteration 1297: trace = 2.393040930097839 (1.98655e-06% change) linmin: converged after 10 iterations. iteration 1298: trace = 2.39304089024491 (1.66537e-06% change) linmin: converged after 6 iterations. iteration 1299: trace = 2.39304087043698 (8.27731e-07% change) large trace change predicted (1.75246e-06%) linmin: converged after 4 iterations. iteration 1300: trace = 2.39304082850022 (1.75245e-06% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.393040823596781 (2.04904e-07% change) large trace change predicted (7.02836e-07%) linmin: converged after 4 iterations. iteration 1302: trace = 2.393040806777944 (7.02823e-07% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.393040799199992 (3.16666e-07% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.393040793588882 (2.34476e-07% change) linmin: converged after 6 iterations. iteration 1305: trace = 2.393040785610138 (3.33414e-07% change) linmin: converged after 3 iterations. iteration 1306: trace = 2.393040781529431 (1.70524e-07% change) large trace change predicted (5.7901e-07%) linmin: converged after 4 iterations. iteration 1307: trace = 2.393040767673701 (5.79001e-07% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.393040764117479 (1.48607e-07% change) large trace change predicted (4.67503e-07%) linmin: converged after 5 iterations. iteration 1309: trace = 2.393040752930362 (4.67485e-07% change) linmin: converged after 17 iterations. iteration 1310: trace = 2.393040744338404 (3.59039e-07% change) linmin: converged after 5 iterations. iteration 1311: trace = 2.393040738644882 (2.3792e-07% change) large trace change predicted (5.43118e-07%) linmin: converged after 4 iterations. iteration 1312: trace = 2.39304072564791 (5.43115e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393040720932457 (1.97049e-07% change) large trace change predicted (6.63301e-07%) linmin: converged after 9 iterations. iteration 1314: trace = 2.393040705059309 (6.63305e-07% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.393040700724848 (1.81128e-07% change) large trace change predicted (6.34246e-07%) linmin: converged after 7 iterations. iteration 1316: trace = 2.393040685546813 (6.34257e-07% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393040675332705 (4.26825e-07% change) linmin: converged after 4 iterations. iteration 1318: trace = 2.39304066151545 (5.77393e-07% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.393040642637224 (7.8888e-07% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393040635856141 (2.83367e-07% change) large trace change predicted (6.73284e-07%) linmin: converged after 4 iterations. iteration 1321: trace = 2.39304061974444 (6.73273e-07% change) linmin: converged after 5 iterations. iteration 1322: trace = 2.393040614532548 (2.17794e-07% change) linmin: converged after 4 iterations. iteration 1323: trace = 2.393040609337865 (2.17075e-07% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.39304060472102 (1.92928e-07% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.393040603294851 (5.95965e-08% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393040601248568 (8.55098e-08% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.39304059953517 (7.15992e-08% change) linmin: converged after 15 iterations. iteration 1328: trace = 2.393040597550162 (8.29492e-08% change) large trace change predicted (4.12466e-07%) linmin: converged after 4 iterations. iteration 1329: trace = 2.393040587679593 (4.1247e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393040580465429 (3.01464e-07% change) linmin: converged after 14 iterations. iteration 1331: trace = 2.393040577823084 (1.10418e-07% change) linmin: converged after 14 iterations. iteration 1332: trace = 2.393040576387055 (6.00086e-08% change) linmin: converged after 4 iterations. iteration 1333: trace = 2.393040574178111 (9.2307e-08% change) linmin: converged after 8 iterations. iteration 1334: trace = 2.393040571499711 (1.11925e-07% change) linmin: converged after 4 iterations. iteration 1335: trace = 2.393040569596532 (7.95297e-08% change) large trace change predicted (2.07021e-07%) linmin: converged after 9 iterations. iteration 1336: trace = 2.393040564642132 (2.07034e-07% change) linmin: converged after 5 iterations. iteration 1337: trace = 2.393040562209758 (1.01644e-07% change) large trace change predicted (3.27307e-07%) linmin: converged after 5 iterations. iteration 1338: trace = 2.393040554376739 (3.27325e-07% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.39304054180474 (5.25357e-07% change) linmin: converged after 5 iterations. iteration 1340: trace = 2.393040536268622 (2.31342e-07% change) large trace change predicted (8.41378e-07%) linmin: converged after 6 iterations. iteration 1341: trace = 2.393040516134218 (8.41373e-07% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393040509658384 (2.70611e-07% change) large trace change predicted (6.27711e-07%) linmin: converged after 5 iterations. iteration 1343: trace = 2.393040494636819 (6.27719e-07% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.393040483906091 (4.48414e-07% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.393040478143857 (2.40791e-07% change) linmin: converged after 4 iterations. iteration 1346: trace = 2.393040468039669 (4.22232e-07% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.39304046164321 (2.67294e-07% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393040455019982 (2.7677e-07% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.393040446387974 (3.60713e-07% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304044186389 (1.89052e-07% change) linmin: converged after 6 iterations. iteration 1351: trace = 2.393040433127564 (3.65072e-07% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.393040430405385 (1.13754e-07% change) large trace change predicted (2.37904e-07%) linmin: converged after 2 iterations. iteration 1353: trace = 2.39304042471267 (2.37886e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393040418036548 (2.78981e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393040414749368 (1.37364e-07% change) large trace change predicted (3.46598e-07%) linmin: converged after 4 iterations. iteration 1356: trace = 2.393040406455357 (3.46589e-07% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.393040402297147 (1.73763e-07% change) large trace change predicted (4.16905e-07%) linmin: converged after 4 iterations. iteration 1358: trace = 2.393040392320467 (4.16904e-07% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.393040386980613 (2.23141e-07% change) large trace change predicted (7.85649e-07%) linmin: converged after 5 iterations. iteration 1360: trace = 2.393040368179305 (7.85666e-07% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.393040352236456 (6.66217e-07% change) linmin: converged after 13 iterations. iteration 1362: trace = 2.393040327731612 (1.024e-06% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.393040306640131 (8.81368e-07% change) linmin: converged after 4 iterations. iteration 1364: trace = 2.393040292668296 (5.83853e-07% change) linmin: converged after 9 iterations. iteration 1365: trace = 2.393040273055593 (8.19573e-07% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.39304026730585 (2.40269e-07% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.393040258702672 (3.59508e-07% change) linmin: converged after 3 iterations. iteration 1368: trace = 2.393040254815388 (1.62441e-07% change) large trace change predicted (3.27987e-07%) linmin: converged after 4 iterations. iteration 1369: trace = 2.393040246966732 (3.27978e-07% change) linmin: converged after 12 iterations. iteration 1370: trace = 2.393040243101726 (1.6151e-07% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.393040235708201 (3.0896e-07% change) linmin: converged after 11 iterations. iteration 1372: trace = 2.393040230937914 (1.9934e-07% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393040224500106 (2.69022e-07% change) linmin: converged after 14 iterations. iteration 1374: trace = 2.393040220421217 (1.70448e-07% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393040215926551 (1.87822e-07% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393040210289981 (2.3554e-07% change) linmin: converged after 3 iterations. iteration 1377: trace = 2.393040207044586 (1.35618e-07% change) large trace change predicted (3.54976e-07%) linmin: converged after 4 iterations. iteration 1378: trace = 2.393040198549409 (3.54995e-07% change) linmin: converged after 5 iterations. iteration 1379: trace = 2.393040191185979 (3.07702e-07% change) linmin: converged after 10 iterations. iteration 1380: trace = 2.393040180878069 (4.30745e-07% change) linmin: converged after 4 iterations. iteration 1381: trace = 2.393040166052206 (6.19541e-07% change) linmin: converged after 5 iterations. iteration 1382: trace = 2.393040151916325 (5.90708e-07% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393040131334559 (8.60068e-07% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.393040102936467 (1.1867e-06% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.393040086361743 (6.92622e-07% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393040060741587 (1.07061e-06% change) linmin: converged after 12 iterations. iteration 1387: trace = 2.393040044306737 (6.86777e-07% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.393040035905734 (3.5106e-07% change) linmin: converged after 4 iterations. iteration 1389: trace = 2.393040029733259 (2.57934e-07% change) linmin: converged after 4 iterations. iteration 1390: trace = 2.393040024374545 (2.23929e-07% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393040019852315 (1.88974e-07% change) linmin: converged after 8 iterations. iteration 1392: trace = 2.393040015705451 (1.73289e-07% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393040013171896 (1.05872e-07% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.393040009440699 (1.55919e-07% change) linmin: converged after 5 iterations. iteration 1395: trace = 2.393040007625822 (7.58398e-08% change) large trace change predicted (3.22288e-07%) linmin: converged after 4 iterations. iteration 1396: trace = 2.393039999913313 (3.22289e-07% change) linmin: converged after 5 iterations. iteration 1397: trace = 2.393039995345873 (1.90864e-07% change) large trace change predicted (5.44068e-07%) linmin: converged after 4 iterations. iteration 1398: trace = 2.39303998232581 (5.4408e-07% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.393039973329971 (3.75917e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393039966046413 (3.04364e-07% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.393039959739344 (2.63559e-07% change) linmin: converged after 4 iterations. iteration 1402: trace = 2.393039951297119 (3.52782e-07% change) linmin: converged after 12 iterations. iteration 1403: trace = 2.39303994944239 (7.75052e-08% change) large trace change predicted (1.97152e-07%) linmin: converged after 5 iterations. iteration 1404: trace = 2.393039944724751 (1.9714e-07% change) linmin: converged after 11 iterations. iteration 1405: trace = 2.393039941961282 (1.15479e-07% change) large trace change predicted (2.69752e-07%) linmin: converged after 4 iterations. iteration 1406: trace = 2.393039935505679 (2.69766e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393039928260118 (3.02776e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393039924873118 (1.41535e-07% change) large trace change predicted (3.03458e-07%) linmin: converged after 5 iterations. iteration 1409: trace = 2.393039917611174 (3.03461e-07% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.393039907854973 (4.07691e-07% change) linmin: converged after 4 iterations. iteration 1411: trace = 2.393039901783208 (2.53726e-07% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.39303989149737 (4.29823e-07% change) linmin: converged after 4 iterations. iteration 1413: trace = 2.393039885759657 (2.39767e-07% change) linmin: converged after 4 iterations. iteration 1414: trace = 2.393039877549211 (3.43097e-07% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.393039862599887 (6.247e-07% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.393039855733734 (2.86922e-07% change) large trace change predicted (7.28544e-07%) linmin: converged after 4 iterations. iteration 1417: trace = 2.393039838299295 (7.28548e-07% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039825994102 (5.14208e-07% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039817924723 (3.37202e-07% change) linmin: converged after 17 iterations. iteration 1420: trace = 2.393039808595072 (3.89866e-07% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393039805693648 (1.21244e-07% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.393039802246433 (1.44052e-07% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.39303979895529 (1.3753e-07% change) linmin: converged after 11 iterations. iteration 1424: trace = 2.393039798255055 (2.92613e-08% change) large trace change predicted (1.17993e-07%) linmin: converged after 3 iterations. iteration 1425: trace = 2.393039795431879 (1.17974e-07% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.393039794552078 (3.6765e-08% change) large trace change predicted (1.13789e-07%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393039791828929 (1.13795e-07% change) linmin: converged after 12 iterations. iteration 1428: trace = 2.393039788130563 (1.54547e-07% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.393039785570439 (1.06982e-07% change) large trace change predicted (3.96916e-07%) linmin: converged after 4 iterations. iteration 1430: trace = 2.393039776071572 (3.96937e-07% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.393039766972256 (3.80241e-07% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.393039760834495 (2.56484e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393039751063575 (4.08306e-07% change) linmin: converged after 5 iterations. iteration 1434: trace = 2.393039748442839 (1.09515e-07% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393039744679854 (1.57247e-07% change) linmin: converged after 4 iterations. iteration 1436: trace = 2.393039739195992 (2.29159e-07% change) linmin: converged after 5 iterations. iteration 1437: trace = 2.393039737673612 (6.3617e-08% change) large trace change predicted (1.63285e-07%) linmin: converged after 3 iterations. iteration 1438: trace = 2.393039733765839 (1.63297e-07% change) linmin: converged after 4 iterations. iteration 1439: trace = 2.393039730832399 (1.22582e-07% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.39303972807751 (1.15121e-07% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.393039726446243 (6.81672e-08% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.393039725614436 (3.47594e-08% change) linmin: converged after 3 iterations. iteration 1443: trace = 2.393039723965023 (6.89254e-08% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393039723039279 (3.86849e-08% change) linmin: converged after 19 iterations. iteration 1445: trace = 2.393039721569313 (6.14267e-08% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393039719204475 (9.88215e-08% change) linmin: converged after 18 iterations. iteration 1447: trace = 2.393039717647883 (6.50466e-08% change) large trace change predicted (1.47227e-07%) linmin: converged after 7 iterations. iteration 1448: trace = 2.393039714124905 (1.47218e-07% change) linmin: converged after 5 iterations. iteration 1449: trace = 2.393039712100749 (8.45852e-08% change) linmin: converged after 14 iterations. iteration 1450: trace = 2.393039708097894 (1.67271e-07% change) linmin: converged after 5 iterations. iteration 1451: trace = 2.393039705040056 (1.2778e-07% change) linmin: converged after 17 iterations. iteration 1452: trace = 2.393039701713394 (1.39014e-07% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.393039698511534 (1.33799e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393039696323006 (9.14539e-08% change) linmin: converged after 5 iterations. iteration 1455: trace = 2.393039694318851 (8.37493e-08% change) linmin: converged after 7 iterations. iteration 1456: trace = 2.393039693207895 (4.64245e-08% change) linmin: converged after 3 iterations. iteration 1457: trace = 2.393039692001463 (5.04142e-08% change) linmin: converged after 13 iterations. iteration 1458: trace = 2.3930396914881 (2.14523e-08% change) large trace change predicted (5.20299e-08%) linmin: converged after 4 iterations. iteration 1459: trace = 2.393039690243272 (5.20187e-08% change) linmin: converged after 7 iterations. iteration 1460: trace = 2.393039689909187 (1.39607e-08% change) large trace change predicted (4.96809e-08%) linmin: converged after 5 iterations. iteration 1461: trace = 2.393039688720449 (4.96749e-08% change) linmin: converged after 5 iterations. iteration 1462: trace = 2.393039688437892 (1.18074e-08% change) large trace change predicted (3.87266e-08%) linmin: converged after 9 iterations. iteration 1463: trace = 2.39303968751105 (3.87307e-08% change) linmin: converged after 5 iterations. iteration 1464: trace = 2.393039687181636 (1.37655e-08% change) large trace change predicted (5.81374e-08%) linmin: converged after 4 iterations. iteration 1465: trace = 2.393039685790283 (5.81416e-08% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393039684776068 (4.23819e-08% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393039683264678 (6.31578e-08% change) linmin: converged after 15 iterations. iteration 1468: trace = 2.393039682871513 (1.64295e-08% change) large trace change predicted (7.14962e-08%) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039681160638 (7.14938e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1470: trace = 2.393039680166377 (4.1548e-08% change) linmin: converged after 4 iterations. iteration 1471: trace = 2.393039679550376 (2.57414e-08% change) linmin: converged after 4 iterations. iteration 1472: trace = 2.393039678583452 (4.04057e-08% change) linmin: converged after 4 iterations. iteration 1473: trace = 2.393039677720533 (3.60596e-08% change) linmin: converged after 7 iterations. iteration 1474: trace = 2.393039676021905 (7.0982e-08% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039674815157 (5.04274e-08% change) linmin: converged after 12 iterations. iteration 1476: trace = 2.393039674327643 (2.03722e-08% change) linmin: converged after 4 iterations. iteration 1477: trace = 2.393039673442761 (3.69773e-08% change) linmin: converged after 5 iterations. iteration 1478: trace = 2.393039673065327 (1.57722e-08% change) large trace change predicted (4.16376e-08%) linmin: converged after 5 iterations. iteration 1479: trace = 2.393039672069202 (4.16259e-08% change) linmin: converged after 15 iterations. iteration 1480: trace = 2.393039671024631 (4.36504e-08% change) linmin: converged after 4 iterations. iteration 1481: trace = 2.393039670556782 (1.95504e-08% change) large trace change predicted (7.13355e-08%) linmin: converged after 4 iterations. iteration 1482: trace = 2.393039668849255 (7.13539e-08% change) linmin: converged after 4 iterations. iteration 1483: trace = 2.39303966816326 (2.86663e-08% change) large trace change predicted (1.1222e-07%) linmin: converged after 7 iterations. iteration 1484: trace = 2.393039665477931 (1.12214e-07% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393039663357443 (8.86107e-08% change) linmin: converged after 4 iterations. iteration 1486: trace = 2.393039660253508 (1.29707e-07% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393039656745905 (1.46575e-07% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393039655535391 (5.05848e-08% change) large trace change predicted (1.63161e-07%) linmin: converged after 4 iterations. iteration 1489: trace = 2.393039651630815 (1.63164e-07% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393039650422425 (5.0496e-08% change) linmin: converged after 4 iterations. iteration 1491: trace = 2.39303964816717 (9.42423e-08% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.393039647215166 (3.97822e-08% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.393039646510904 (2.94296e-08% change) linmin: converged after 5 iterations. iteration 1494: trace = 2.393039645285069 (5.1225e-08% change) linmin: converged after 12 iterations. iteration 1495: trace = 2.393039644921993 (1.51722e-08% change) large trace change predicted (6.48959e-08%) linmin: converged after 6 iterations. iteration 1496: trace = 2.393039643368809 (6.49042e-08% change) linmin: converged after 6 iterations. iteration 1497: trace = 2.393039642777997 (2.46887e-08% change) large trace change predicted (6.67852e-08%) linmin: converged after 14 iterations. iteration 1498: trace = 2.393039641180009 (6.67765e-08% change) linmin: converged after 4 iterations. iteration 1499: trace = 2.393039639338971 (7.6933e-08% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393039638168414 (4.89151e-08% change) large trace change predicted (1.15279e-07%) linmin: converged after 4 iterations. iteration 1501: trace = 2.393039635409903 (1.15272e-07% change) linmin: converged after 22 iterations. iteration 1502: trace = 2.393039634096779 (5.48726e-08% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.39303963164951 (1.02266e-07% change) linmin: converged after 4 iterations. iteration 1504: trace = 2.393039628167269 (1.45515e-07% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393039625680733 (1.03907e-07% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393039621200853 (1.87205e-07% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393039618457916 (1.14621e-07% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393039613353535 (2.13301e-07% change) linmin: converged after 5 iterations. iteration 1509: trace = 2.393039610233413 (1.30383e-07% change) linmin: converged after 6 iterations. iteration 1510: trace = 2.39303960787677 (9.84791e-08% change) linmin: converged after 3 iterations. iteration 1511: trace = 2.393039606170299 (7.13098e-08% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.39303960506194 (4.6316e-08% change) linmin: converged after 3 iterations. iteration 1513: trace = 2.393039604076756 (4.11687e-08% change) linmin: converged after 15 iterations. iteration 1514: trace = 2.393039603610784 (1.94719e-08% change) large trace change predicted (4.11258e-08%) linmin: converged after 6 iterations. iteration 1515: trace = 2.393039602626793 (4.11189e-08% change) linmin: converged after 4 iterations. iteration 1516: trace = 2.393039601960144 (2.78578e-08% change) linmin: converged after 10 iterations. iteration 1517: trace = 2.393039600735031 (5.11949e-08% change) linmin: converged after 15 iterations. iteration 1518: trace = 2.393039598961888 (7.40958e-08% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393039597182844 (7.43424e-08% change) linmin: converged after 4 iterations. iteration 1520: trace = 2.393039594250012 (1.22557e-07% change) linmin: converged after 4 iterations. iteration 1521: trace = 2.393039592350489 (7.9377e-08% change) large trace change predicted (2.98063e-07%) linmin: converged after 4 iterations. iteration 1522: trace = 2.393039585217721 (2.98063e-07% change) linmin: converged after 4 iterations. iteration 1523: trace = 2.39303958290277 (9.67369e-08% change) large trace change predicted (2.63499e-07%) linmin: converged after 4 iterations. iteration 1524: trace = 2.393039576596954 (2.63507e-07% change) linmin: converged after 10 iterations. iteration 1525: trace = 2.393039573924609 (1.11672e-07% change) linmin: converged after 5 iterations. iteration 1526: trace = 2.393039571534072 (9.98954e-08% change) linmin: converged after 4 iterations. iteration 1527: trace = 2.393039568020138 (1.4684e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393039566869273 (4.80922e-08% change) large trace change predicted (1.29764e-07%) linmin: converged after 5 iterations. iteration 1529: trace = 2.393039563763715 (1.29775e-07% change) linmin: converged after 15 iterations. iteration 1530: trace = 2.393039562685905 (4.50394e-08% change) large trace change predicted (1.04735e-07%) linmin: converged after 4 iterations. iteration 1531: trace = 2.393039560179912 (1.0472e-07% change) linmin: converged after 22 iterations. iteration 1532: trace = 2.393039559216768 (4.02477e-08% change) large trace change predicted (9.04954e-08%) linmin: converged after 8 iterations. iteration 1533: trace = 2.393039557051122 (9.04977e-08% change) linmin: converged after 15 iterations. iteration 1534: trace = 2.393039555727502 (5.53112e-08% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393039555042599 (2.86206e-08% change) large trace change predicted (6.66918e-08%) linmin: converged after 5 iterations. iteration 1536: trace = 2.393039553446658 (6.6691e-08% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393039552997829 (1.87556e-08% change) large trace change predicted (4.05058e-08%) linmin: converged after 15 iterations. iteration 1538: trace = 2.393039552028569 (4.05033e-08% change) linmin: converged after 3 iterations. iteration 1539: trace = 2.393039551435999 (2.47623e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1540: trace = 2.393039551045645 (1.6312e-08% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393039550378476 (2.78796e-08% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.393039549516678 (3.60127e-08% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393039548997058 (2.17138e-08% change) large trace change predicted (7.18249e-08%) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039547278004 (7.18356e-08% change) linmin: converged after 9 iterations. iteration 1545: trace = 2.393039546349622 (3.87951e-08% change) linmin: converged after 4 iterations. iteration 1546: trace = 2.393039544672926 (7.00655e-08% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393039543099079 (6.57677e-08% change) linmin: converged after 4 iterations. iteration 1548: trace = 2.393039542073008 (4.28773e-08% change) large trace change predicted (9.84477e-08%) linmin: converged after 5 iterations. iteration 1549: trace = 2.39303953971701 (9.84521e-08% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.39303953811054 (6.71309e-08% change) linmin: converged after 10 iterations. iteration 1551: trace = 2.39303953611149 (8.3536e-08% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393039533750612 (9.86561e-08% change) linmin: converged after 5 iterations. iteration 1553: trace = 2.393039532245778 (6.28838e-08% change) large trace change predicted (1.54698e-07%) linmin: converged after 4 iterations. iteration 1554: trace = 2.393039528544007 (1.54689e-07% change) linmin: converged after 3 iterations. iteration 1555: trace = 2.393039526941381 (6.69703e-08% change) linmin: converged after 3 iterations. iteration 1556: trace = 2.393039523805046 (1.31061e-07% change) linmin: converged after 5 iterations. iteration 1557: trace = 2.393039521291419 (1.05039e-07% change) linmin: converged after 6 iterations. iteration 1558: trace = 2.393039520186697 (4.6164e-08% change) linmin: converged after 3 iterations. iteration 1559: trace = 2.393039518274729 (7.98971e-08% change) linmin: converged after 6 iterations. iteration 1560: trace = 2.393039517758407 (2.1576e-08% change) large trace change predicted (4.57378e-08%) linmin: converged after 7 iterations. iteration 1561: trace = 2.393039516663837 (4.57397e-08% change) linmin: converged after 12 iterations. iteration 1562: trace = 2.393039516187216 (1.9917e-08% change) linmin: converged after 4 iterations. iteration 1563: trace = 2.393039515981591 (8.59262e-09% change) large trace change predicted (2.97848e-08%) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039515268685 (2.97908e-08% change) linmin: converged after 7 iterations. iteration 1565: trace = 2.39303951479569 (1.97654e-08% change) linmin: converged after 3 iterations. iteration 1566: trace = 2.3930395140593 (3.07722e-08% change) linmin: converged after 3 iterations. iteration 1567: trace = 2.393039513181621 (3.66763e-08% change) linmin: converged after 11 iterations. iteration 1568: trace = 2.393039512646754 (2.23509e-08% change) large trace change predicted (4.88222e-08%) linmin: converged after 5 iterations. iteration 1569: trace = 2.393039511478558 (4.88164e-08% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039509732215 (7.29759e-08% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393039509176642 (2.32162e-08% change) large trace change predicted (7.76329e-08%) linmin: converged after 4 iterations. iteration 1572: trace = 2.39303950731891 (7.76306e-08% change) linmin: converged after 5 iterations. iteration 1573: trace = 2.393039506243734 (4.49293e-08% change) linmin: converged after 5 iterations. iteration 1574: trace = 2.393039505347019 (3.74718e-08% change) linmin: converged after 8 iterations. iteration 1575: trace = 2.393039503784988 (6.52739e-08% change) linmin: converged after 6 iterations. iteration 1576: trace = 2.393039502734971 (4.3878e-08% change) linmin: converged after 3 iterations. iteration 1577: trace = 2.393039501388015 (5.62864e-08% change) linmin: converged after 4 iterations. iteration 1578: trace = 2.393039500304252 (4.52882e-08% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393039500081274 (9.31778e-09% change) large trace change predicted (2.11524e-08%) linmin: converged after 4 iterations. iteration 1580: trace = 2.393039499575118 (2.11512e-08% change) linmin: converged after 3 iterations. iteration 1581: trace = 2.393039499291119 (1.18677e-08% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393039499169742 (5.07205e-09% change) large trace change predicted (1.38671e-08%) linmin: converged after 3 iterations. iteration 1583: trace = 2.393039498838404 (1.38459e-08% change) linmin: converged after 5 iterations. iteration 1584: trace = 2.393039498665226 (7.23675e-09% change) large trace change predicted (2.0901e-08%) linmin: converged after 8 iterations. iteration 1585: trace = 2.393039498164887 (2.09081e-08% change) linmin: converged after 15 iterations. iteration 1586: trace = 2.393039497398028 (3.20454e-08% change) linmin: converged after 5 iterations. iteration 1587: trace = 2.393039496949947 (1.87243e-08% change) linmin: converged after 12 iterations. iteration 1588: trace = 2.393039496108023 (3.51822e-08% change) linmin: converged after 12 iterations. iteration 1589: trace = 2.393039494922017 (4.95607e-08% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.393039494217895 (2.94238e-08% change) linmin: converged after 5 iterations. iteration 1591: trace = 2.393039493122616 (4.57693e-08% change) linmin: converged after 5 iterations. iteration 1592: trace = 2.393039492864662 (1.07794e-08% change) large trace change predicted (2.54462e-08%) linmin: converged after 3 iterations. iteration 1593: trace = 2.393039492255582 (2.54521e-08% change) linmin: converged after 3 iterations. iteration 1594: trace = 2.393039491909563 (1.44594e-08% change) linmin: converged after 3 iterations. iteration 1595: trace = 2.393039491767119 (5.95242e-09% change) large trace change predicted (1.2642e-08%) linmin: converged after 6 iterations. iteration 1596: trace = 2.39303949146463 (1.26404e-08% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039491352178 (4.69914e-09% change) large trace change predicted (1.16861e-08%) linmin: converged after 3 iterations. iteration 1598: trace = 2.393039491072554 (1.16849e-08% change) linmin: converged after 3 iterations. iteration 1599: trace = 2.393039490909507 (6.81338e-09% change) linmin: converged after 3 iterations. iteration 1600: trace = 2.393039490781077 (5.36682e-09% change) large trace change predicted (1.15925e-08%) linmin: converged after 13 iterations. iteration 1601: trace = 2.393039490503157 (1.16137e-08% change) linmin: converged after 12 iterations. iteration 1602: trace = 2.393039490349005 (6.44167e-09% change) large trace change predicted (1.48413e-08%) linmin: converged after 15 iterations. iteration 1603: trace = 2.393039489993615 (1.4851e-08% change) linmin: converged after 5 iterations. iteration 1604: trace = 2.393039489802804 (7.9736e-09% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.39303948955998 (1.01471e-08% change) linmin: converged after 4 iterations. iteration 1606: trace = 2.393039489352978 (8.65019e-09% change) large trace change predicted (1.80773e-08%) linmin: converged after 4 iterations. iteration 1607: trace = 2.393039488920519 (1.80715e-08% change) large trace change predicted (5.41189e-08%) linmin: converged after 9 iterations. iteration 1608: trace = 2.393039487625458 (5.41178e-08% change) linmin: converged after 4 iterations. iteration 1609: trace = 2.393039486940449 (2.86251e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1610: trace = 2.393039486293925 (2.70169e-08% change) linmin: converged after 4 iterations. iteration 1611: trace = 2.393039485388955 (3.78167e-08% change) linmin: converged after 16 iterations. iteration 1612: trace = 2.393039484755132 (2.64861e-08% change) linmin: converged after 5 iterations. iteration 1613: trace = 2.393039484581986 (7.23542e-09% change) linmin: converged after 12 iterations. iteration 1614: trace = 2.393039484270076 (1.3034e-08% change) linmin: converged after 4 iterations. iteration 1615: trace = 2.3930394840887 (7.57933e-09% change) linmin: converged after 8 iterations. iteration 1616: trace = 2.393039483826325 (1.09641e-08% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.393039483556265 (1.12852e-08% change) linmin: converged after 4 iterations. iteration 1618: trace = 2.393039483413313 (5.97367e-09% change) linmin: converged after 4 iterations. iteration 1619: trace = 2.393039483222195 (7.98642e-09% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393039482975173 (1.03225e-08% change) linmin: converged after 3 iterations. iteration 1621: trace = 2.393039482905158 (2.92576e-09% change) large trace change predicted (1.03505e-08%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393039482657469 (1.03504e-08% change) linmin: converged after 4 iterations. iteration 1623: trace = 2.393039482463617 (8.1007e-09% change) linmin: converged after 15 iterations. iteration 1624: trace = 2.39303948231253 (6.31359e-09% change) large trace change predicted (1.79524e-08%) linmin: converged after 10 iterations. iteration 1625: trace = 2.393039481882585 (1.79665e-08% change) linmin: converged after 15 iterations. iteration 1626: trace = 2.393039481512064 (1.54833e-08% change) linmin: converged after 3 iterations. iteration 1627: trace = 2.393039481125546 (1.61518e-08% change) large trace change predicted (4.33055e-08%) linmin: converged after 11 iterations. iteration 1628: trace = 2.393039480089096 (4.3311e-08% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393039479778296 (1.29876e-08% change) large trace change predicted (4.01142e-08%) linmin: converged after 3 iterations. iteration 1630: trace = 2.393039478818425 (4.0111e-08% change) linmin: converged after 4 iterations. iteration 1631: trace = 2.393039478251282 (2.36997e-08% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393039477978005 (1.14197e-08% change) linmin: converged after 4 iterations. iteration 1633: trace = 2.393039477457784 (2.17389e-08% change) linmin: converged after 12 iterations. iteration 1634: trace = 2.393039477370332 (3.65444e-09% change) large trace change predicted (1.15765e-08%) linmin: converged after 4 iterations. iteration 1635: trace = 2.39303947709371 (1.15594e-08% change) linmin: converged after 18 iterations. iteration 1636: trace = 2.393039476968507 (5.23196e-09% change) linmin: converged after 7 iterations. iteration 1637: trace = 2.393039476828804 (5.83787e-09% change) linmin: converged after 13 iterations. iteration 1638: trace = 2.393039476564597 (1.10407e-08% change) linmin: converged after 15 iterations. iteration 1639: trace = 2.393039476411133 (6.41293e-09% change) large trace change predicted (1.87805e-08%) linmin: converged after 3 iterations. iteration 1640: trace = 2.393039475961852 (1.87745e-08% change) linmin: converged after 4 iterations. iteration 1641: trace = 2.393039475097981 (3.60993e-08% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393039474596353 (2.0962e-08% change) linmin: converged after 8 iterations. iteration 1643: trace = 2.393039473609147 (4.12532e-08% change) linmin: converged after 5 iterations. iteration 1644: trace = 2.39303947320107 (1.70527e-08% change) linmin: converged after 6 iterations. iteration 1645: trace = 2.393039472392492 (3.37887e-08% change) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039471941734 (1.88362e-08% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039471307997 (2.64825e-08% change) linmin: converged after 13 iterations. iteration 1648: trace = 2.393039470715139 (2.47743e-08% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039470151842 (2.3539e-08% change) linmin: converged after 12 iterations. iteration 1650: trace = 2.393039469530336 (2.59714e-08% change) linmin: converged after 5 iterations. iteration 1651: trace = 2.393039469337136 (8.07342e-09% change) large trace change predicted (2.03484e-08%) linmin: converged after 6 iterations. iteration 1652: trace = 2.393039468849951 (2.03584e-08% change) linmin: converged after 4 iterations. iteration 1653: trace = 2.393039468640968 (8.73295e-09% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039468430554 (8.79275e-09% change) linmin: converged after 15 iterations. iteration 1655: trace = 2.393039468148006 (1.18071e-08% change) linmin: converged after 4 iterations. iteration 1656: trace = 2.393039468004484 (5.9975e-09% change) linmin: converged after 9 iterations. iteration 1657: trace = 2.393039467735419 (1.12436e-08% change) linmin: converged after 10 iterations. iteration 1658: trace = 2.393039467579606 (6.51112e-09% change) large trace change predicted (1.33822e-08%) linmin: converged after 10 iterations. iteration 1659: trace = 2.393039467259216 (1.33884e-08% change) linmin: converged after 4 iterations. iteration 1660: trace = 2.393039466723111 (2.24027e-08% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039466303676 (1.75273e-08% change) large trace change predicted (5.62128e-08%) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039464958745 (5.62018e-08% change) linmin: converged after 5 iterations. iteration 1663: trace = 2.393039464571325 (1.61895e-08% change) large trace change predicted (4.31953e-08%) linmin: converged after 8 iterations. iteration 1664: trace = 2.393039463537659 (4.31947e-08% change) linmin: converged after 5 iterations. iteration 1665: trace = 2.393039462371855 (4.87165e-08% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.39303946193583 (1.82206e-08% change) large trace change predicted (4.27269e-08%) linmin: converged after 11 iterations. iteration 1667: trace = 2.393039460913331 (4.2728e-08% change) linmin: converged after 4 iterations. iteration 1668: trace = 2.39303946070726 (8.61129e-09% change) large trace change predicted (3.3899e-08%) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039459895986 (3.39014e-08% change) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039459494159 (1.67915e-08% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039459126877 (1.53479e-08% change) linmin: converged after 3 iterations. iteration 1672: trace = 2.393039458664493 (1.93221e-08% change) linmin: converged after 12 iterations. iteration 1673: trace = 2.393039458473856 (7.96629e-09% change) large trace change predicted (1.65994e-08%) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039458075997 (1.66257e-08% change) linmin: converged after 18 iterations. iteration 1675: trace = 2.393039457904847 (7.15202e-09% change) linmin: converged after 7 iterations. iteration 1676: trace = 2.393039457600002 (1.27388e-08% change) linmin: converged after 9 iterations. iteration 1677: trace = 2.393039457434273 (6.92547e-09% change) linmin: converged after 3 iterations. iteration 1678: trace = 2.393039457323234 (4.64007e-09% change) linmin: converged after 3 iterations. iteration 1679: trace = 2.393039457118042 (8.57455e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039457014609 (4.32224e-09% change) linmin: converged after 3 iterations. iteration 1681: trace = 2.393039456904316 (4.60889e-09% change) linmin: converged after 7 iterations. iteration 1682: trace = 2.393039456708687 (8.17493e-09% change) linmin: converged after 3 iterations. iteration 1683: trace = 2.393039456565813 (5.97041e-09% change) large trace change predicted (1.5105e-08%) linmin: converged after 6 iterations. iteration 1684: trace = 2.393039456204738 (1.50885e-08% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039456046751 (6.60194e-09% change) large trace change predicted (1.70597e-08%) linmin: converged after 12 iterations. iteration 1686: trace = 2.393039455638738 (1.705e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.393039455243519 (1.65154e-08% change) linmin: converged after 4 iterations. iteration 1688: trace = 2.393039455056417 (7.81859e-09% change) large trace change predicted (1.86223e-08%) linmin: converged after 9 iterations. iteration 1689: trace = 2.393039454611054 (1.86108e-08% change) linmin: converged after 4 iterations. iteration 1690: trace = 2.393039454171322 (1.83754e-08% change) linmin: converged after 9 iterations. iteration 1691: trace = 2.393039453818564 (1.4741e-08% change) large trace change predicted (3.11372e-08%) linmin: converged after 7 iterations. iteration 1692: trace = 2.393039453074008 (3.11134e-08% change) linmin: converged after 5 iterations. iteration 1693: trace = 2.393039452797738 (1.15447e-08% change) large trace change predicted (3.30116e-08%) linmin: converged after 3 iterations. iteration 1694: trace = 2.393039452007406 (3.30263e-08% change) linmin: converged after 6 iterations. iteration 1695: trace = 2.393039451439866 (2.37163e-08% change) linmin: converged after 6 iterations. iteration 1696: trace = 2.393039451134685 (1.27529e-08% change) large trace change predicted (2.85332e-08%) linmin: converged after 16 iterations. iteration 1697: trace = 2.393039450452045 (2.85261e-08% change) linmin: converged after 6 iterations. iteration 1698: trace = 2.393039450265314 (7.80309e-09% change) linmin: converged after 7 iterations. iteration 1699: trace = 2.393039449921884 (1.43512e-08% change) linmin: converged after 4 iterations. iteration 1700: trace = 2.393039449775002 (6.13787e-09% change) linmin: converged after 12 iterations. iteration 1701: trace = 2.393039449638505 (5.7039e-09% change) linmin: converged after 3 iterations. iteration 1702: trace = 2.393039449532193 (4.44258e-09% change) linmin: converged after 4 iterations. iteration 1703: trace = 2.393039449473548 (2.45063e-09% change) large trace change predicted (6.5718e-09%) linmin: converged after 6 iterations. iteration 1704: trace = 2.393039449316916 (6.54534e-09% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039449232301 (3.53584e-09% change) linmin: converged after 3 iterations. iteration 1706: trace = 2.393039449109216 (5.14346e-09% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039448870016 (9.99568e-09% change) linmin: converged after 5 iterations. iteration 1708: trace = 2.393039448784958 (3.55436e-09% change) large trace change predicted (1.22669e-08%) linmin: converged after 4 iterations. iteration 1709: trace = 2.39303944849109 (1.22801e-08% change) linmin: converged after 3 iterations. iteration 1710: trace = 2.393039448213335 (1.16068e-08% change) linmin: converged after 4 iterations. iteration 1711: trace = 2.393039448070876 (5.95305e-09% change) large trace change predicted (1.67228e-08%) linmin: converged after 15 iterations. iteration 1712: trace = 2.393039447670758 (1.67201e-08% change) linmin: converged after 8 iterations. iteration 1713: trace = 2.393039447560109 (4.62378e-09% change) large trace change predicted (1.78453e-08%) linmin: converged after 4 iterations. iteration 1714: trace = 2.39303944713308 (1.78447e-08% change) linmin: converged after 9 iterations. iteration 1715: trace = 2.393039446935062 (8.27475e-09% change) linmin: converged after 4 iterations. iteration 1716: trace = 2.393039446642102 (1.22422e-08% change) linmin: converged after 10 iterations. iteration 1717: trace = 2.393039446359064 (1.18276e-08% change) linmin: converged after 3 iterations. iteration 1718: trace = 2.393039446286803 (3.01963e-09% change) large trace change predicted (7.52314e-09%) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039446107193 (7.50552e-09% change) linmin: converged after 12 iterations. iteration 1720: trace = 2.393039446075387 (1.32909e-09% change) large trace change predicted (4.15695e-09%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039445975782 (4.16227e-09% change) linmin: converged after 3 iterations. iteration 1722: trace = 2.393039445953484 (9.31793e-10% change) large trace change predicted (2.28144e-09%) linmin: converged after 3 iterations. iteration 1723: trace = 2.393039445898906 (2.28072e-09% change) linmin: converged after 4 iterations. iteration 1724: trace = 2.393039445864279 (1.44697e-09% change) linmin: converged after 6 iterations. iteration 1725: trace = 2.393039445815468 (2.03971e-09% change) linmin: converged after 3 iterations. iteration 1726: trace = 2.39303944578284 (1.36344e-09% change) large trace change predicted (5.70781e-09%) linmin: converged after 3 iterations. iteration 1727: trace = 2.393039445646182 (5.71066e-09% change) linmin: converged after 3 iterations. iteration 1728: trace = 2.393039445598301 (2.00086e-09% change) large trace change predicted (6.80709e-09%) linmin: converged after 3 iterations. iteration 1729: trace = 2.393039445435487 (6.80364e-09% change) linmin: converged after 3 iterations. iteration 1730: trace = 2.39303944531831 (4.89657e-09% change) linmin: converged after 5 iterations. iteration 1731: trace = 2.393039445228778 (3.74135e-09% change) large trace change predicted (7.71732e-09%) linmin: converged after 3 iterations. iteration 1732: trace = 2.393039445044142 (7.71556e-09% change) linmin: converged after 3 iterations. iteration 1733: trace = 2.393039444971511 (3.03509e-09% change) linmin: converged after 3 iterations. iteration 1734: trace = 2.393039444840666 (5.46774e-09% change) linmin: converged after 3 iterations. iteration 1735: trace = 2.393039444714778 (5.2606e-09% change) linmin: converged after 3 iterations. iteration 1736: trace = 2.393039444675937 (1.62308e-09% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039444603462 (3.02859e-09% change) linmin: converged after 3 iterations. iteration 1738: trace = 2.393039444523325 (3.34873e-09% change) linmin: converged after 3 iterations. iteration 1739: trace = 2.393039444493621 (1.24128e-09% change) linmin: converged after 6 iterations. iteration 1740: trace = 2.393039444443883 (2.07844e-09% change) linmin: converged after 6 iterations. iteration 1741: trace = 2.393039444382688 (2.55719e-09% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.39303944436344 (8.04339e-10% change) linmin: converged after 3 iterations. iteration 1743: trace = 2.393039444345386 (7.54438e-10% change) linmin: converged after 3 iterations. iteration 1744: trace = 2.393039444310664 (1.45096e-09% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039444292932 (7.41003e-10% change) linmin: converged after 3 iterations. iteration 1746: trace = 2.393039444278023 (6.23014e-10% change) large trace change predicted (1.26916e-09%) linmin: converged after 3 iterations. iteration 1747: trace = 2.39303944424796 (1.25625e-09% change) linmin: converged after 3 iterations. iteration 1748: trace = 2.393039444228026 (8.33011e-10% change) linmin: converged after 5 iterations. iteration 1749: trace = 2.393039444218437 (4.00694e-10% change) resetting CG direction... large trace change predicted (9.52251e-10%) linmin: converged after 4 iterations. iteration 1750: trace = 2.393039444195666 (9.51556e-10% change) linmin: converged after 3 iterations. iteration 1751: trace = 2.393039444177546 (7.57185e-10% change) linmin: converged after 3 iterations. iteration 1752: trace = 2.393039444146321 (1.30484e-09% change) linmin: converged after 5 iterations. iteration 1753: trace = 2.39303944413465 (4.87692e-10% change) large trace change predicted (1.82599e-09%) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039444090912 (1.82775e-09% change) linmin: converged after 3 iterations. iteration 1755: trace = 2.393039444061502 (1.22897e-09% change) linmin: converged after 3 iterations. iteration 1756: trace = 2.393039444020474 (1.71446e-09% change) linmin: converged after 3 iterations. iteration 1757: trace = 2.393039443954934 (2.73878e-09% change) linmin: converged after 12 iterations. iteration 1758: trace = 2.393039443919599 (1.47657e-09% change) large trace change predicted (4.02759e-09%) linmin: converged after 3 iterations. iteration 1759: trace = 2.393039443823342 (4.0224e-09% change) linmin: converged after 10 iterations. iteration 1760: trace = 2.393039443738229 (3.55666e-09% change) linmin: converged after 4 iterations. iteration 1761: trace = 2.393039443622853 (4.8213e-09% change) large trace change predicted (9.66329e-09%) linmin: converged after 9 iterations. iteration 1762: trace = 2.393039443391864 (9.65256e-09% change) linmin: converged after 3 iterations. iteration 1763: trace = 2.393039443336197 (2.32621e-09% change) large trace change predicted (5.4175e-09%) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039443206546 (5.41785e-09% change) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039443122075 (3.52983e-09% change) linmin: converged after 3 iterations. iteration 1766: trace = 2.393039443038401 (3.49657e-09% change) large trace change predicted (7.6054e-09%) linmin: converged after 6 iterations. iteration 1767: trace = 2.393039442856517 (7.60054e-09% change) linmin: converged after 10 iterations. iteration 1768: trace = 2.3930394428069 (2.07338e-09% change) large trace change predicted (7.19913e-09%) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039442634707 (7.19561e-09% change) linmin: converged after 3 iterations. iteration 1770: trace = 2.393039442581494 (2.22366e-09% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039442523689 (2.41552e-09% change) linmin: converged after 3 iterations. iteration 1772: trace = 2.393039442439991 (3.49758e-09% change) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039442413424 (1.11017e-09% change) large trace change predicted (2.75507e-09%) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039442347044 (2.77389e-09% change) linmin: converged after 6 iterations. iteration 1775: trace = 2.393039442328087 (7.92166e-10% change) large trace change predicted (3.22877e-09%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039442250741 (3.23211e-09% change) linmin: converged after 6 iterations. iteration 1777: trace = 2.39303944221371 (1.54746e-09% change) large trace change predicted (3.34274e-09%) linmin: converged after 3 iterations. iteration 1778: trace = 2.393039442133237 (3.36279e-09% change) large trace change predicted (8.09184e-09%) linmin: converged after 17 iterations. iteration 1779: trace = 2.393039441939736 (8.08598e-09% change) linmin: converged after 3 iterations. iteration 1780: trace = 2.393039441833837 (4.42532e-09% change) large trace change predicted (1.34704e-08%) linmin: converged after 10 iterations. iteration 1781: trace = 2.393039441511344 (1.34763e-08% change) linmin: converged after 10 iterations. iteration 1782: trace = 2.393039441304755 (8.63291e-09% change) linmin: converged after 12 iterations. iteration 1783: trace = 2.39303944107243 (9.70839e-09% change) linmin: converged after 6 iterations. iteration 1784: trace = 2.393039440915222 (6.56939e-09% change) linmin: converged after 13 iterations. iteration 1785: trace = 2.393039440818795 (4.02947e-09% change) linmin: converged after 3 iterations. iteration 1786: trace = 2.393039440676874 (5.93056e-09% change) linmin: converged after 9 iterations. iteration 1787: trace = 2.393039440620795 (2.34343e-09% change) large trace change predicted (4.90466e-09%) linmin: converged after 3 iterations. iteration 1788: trace = 2.393039440503506 (4.90125e-09% change) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039440446732 (2.37247e-09% change) linmin: converged after 6 iterations. iteration 1790: trace = 2.393039440361032 (3.5812e-09% change) linmin: converged after 3 iterations. iteration 1791: trace = 2.393039440311737 (2.05996e-09% change) linmin: converged after 4 iterations. iteration 1792: trace = 2.393039440272974 (1.61979e-09% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039440199366 (3.07595e-09% change) linmin: converged after 12 iterations. iteration 1794: trace = 2.393039440165944 (1.3966e-09% change) large trace change predicted (3.70625e-09%) linmin: converged after 5 iterations. iteration 1795: trace = 2.393039440077674 (3.68864e-09% change) linmin: converged after 3 iterations. iteration 1796: trace = 2.393039440030697 (1.96307e-09% change) large trace change predicted (4.79803e-09%) linmin: converged after 10 iterations. iteration 1797: trace = 2.393039439915658 (4.80724e-09% change) linmin: converged after 12 iterations. iteration 1798: trace = 2.393039439814751 (4.21666e-09% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039439692446 (5.11086e-09% change) large trace change predicted (1.0631e-08%) linmin: converged after 3 iterations. iteration 1800: trace = 2.39303943943804 (1.06311e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039439290153 (6.17988e-09% change) large trace change predicted (1.93354e-08%) linmin: converged after 12 iterations. iteration 1802: trace = 2.393039438827166 (1.93472e-08% change) linmin: converged after 4 iterations. iteration 1803: trace = 2.393039438627755 (8.33295e-09% change) linmin: converged after 15 iterations. iteration 1804: trace = 2.393039438344062 (1.18549e-08% change) linmin: converged after 3 iterations. iteration 1805: trace = 2.393039438183445 (6.71183e-09% change) linmin: converged after 3 iterations. iteration 1806: trace = 2.393039438114115 (2.89717e-09% change) large trace change predicted (6.29463e-09%) linmin: converged after 6 iterations. iteration 1807: trace = 2.393039437963845 (6.27944e-09% change) linmin: converged after 5 iterations. iteration 1808: trace = 2.39303943791392 (2.08628e-09% change) linmin: converged after 5 iterations. iteration 1809: trace = 2.393039437874635 (1.64164e-09% change) linmin: converged after 3 iterations. iteration 1810: trace = 2.393039437823133 (2.15214e-09% change) linmin: converged after 9 iterations. iteration 1811: trace = 2.393039437792614 (1.27533e-09% change) large trace change predicted (5.16832e-09%) linmin: converged after 5 iterations. iteration 1812: trace = 2.393039437669096 (5.16156e-09% change) linmin: converged after 6 iterations. iteration 1813: trace = 2.393039437561806 (4.48341e-09% change) linmin: converged after 4 iterations. iteration 1814: trace = 2.393039437470394 (3.81992e-09% change) large trace change predicted (9.6568e-09%) linmin: converged after 3 iterations. iteration 1815: trace = 2.393039437239216 (9.66044e-09% change) linmin: converged after 3 iterations. iteration 1816: trace = 2.393039437195021 (1.84679e-09% change) large trace change predicted (8.05644e-09%) linmin: converged after 6 iterations. iteration 1817: trace = 2.393039437001947 (8.06815e-09% change) linmin: converged after 6 iterations. iteration 1818: trace = 2.393039436913043 (3.71511e-09% change) linmin: converged after 3 iterations. iteration 1819: trace = 2.393039436735796 (7.4068e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1820: trace = 2.393039436615087 (5.04416e-09% change) linmin: converged after 5 iterations. iteration 1821: trace = 2.393039436553057 (2.59212e-09% change) large trace change predicted (8.69087e-09%) linmin: converged after 6 iterations. iteration 1822: trace = 2.393039436344917 (8.69773e-09% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039436284367 (2.53023e-09% change) large trace change predicted (6.18035e-09%) linmin: converged after 3 iterations. iteration 1824: trace = 2.3930394361362 (6.19161e-09% change) linmin: converged after 6 iterations. iteration 1825: trace = 2.393039436018256 (4.92862e-09% change) linmin: converged after 6 iterations. iteration 1826: trace = 2.393039435969046 (2.05636e-09% change) linmin: converged after 3 iterations. iteration 1827: trace = 2.39303943588169 (3.65042e-09% change) linmin: converged after 4 iterations. iteration 1828: trace = 2.393039435842717 (1.62861e-09% change) linmin: converged after 3 iterations. iteration 1829: trace = 2.393039435813915 (1.20359e-09% change) linmin: converged after 5 iterations. iteration 1830: trace = 2.393039435779417 (1.44159e-09% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039435766638 (5.33993e-10% change) large trace change predicted (3.41338e-09%) linmin: converged after 3 iterations. iteration 1832: trace = 2.393039435684921 (3.41477e-09% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039435650287 (1.4473e-09% change) large trace change predicted (4.76432e-09%) linmin: converged after 3 iterations. iteration 1834: trace = 2.393039435536316 (4.76259e-09% change) linmin: converged after 3 iterations. iteration 1835: trace = 2.393039435396384 (5.84746e-09% change) linmin: converged after 4 iterations. iteration 1836: trace = 2.393039435335645 (2.53815e-09% change) large trace change predicted (1.09733e-08%) linmin: converged after 6 iterations. iteration 1837: trace = 2.393039435073163 (1.09686e-08% change) linmin: converged after 9 iterations. iteration 1838: trace = 2.393039434991662 (3.40577e-09% change) linmin: converged after 3 iterations. iteration 1839: trace = 2.39303943487383 (4.92393e-09% change) linmin: converged after 3 iterations. iteration 1840: trace = 2.393039434800345 (3.07079e-09% change) linmin: converged after 6 iterations. iteration 1841: trace = 2.393039434770315 (1.25488e-09% change) linmin: converged after 5 iterations. iteration 1842: trace = 2.393039434732226 (1.59168e-09% change) linmin: converged after 4 iterations. iteration 1843: trace = 2.393039434688152 (1.84176e-09% change) linmin: converged after 4 iterations. iteration 1844: trace = 2.39303943467836 (4.09175e-10% change) large trace change predicted (1.64274e-09%) linmin: converged after 4 iterations. iteration 1845: trace = 2.393039434638748 (1.65531e-09% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039434617966 (8.684e-10% change) linmin: converged after 4 iterations. iteration 1847: trace = 2.393039434606084 (4.96544e-10% change) large trace change predicted (1.08612e-09%) linmin: converged after 5 iterations. iteration 1848: trace = 2.393039434580546 (1.06717e-09% change) linmin: converged after 4 iterations. iteration 1849: trace = 2.393039434567339 (5.51883e-10% change) large trace change predicted (1.3046e-09%) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039434535825 (1.31694e-09% change) linmin: converged after 6 iterations. iteration 1851: trace = 2.393039434518744 (7.1376e-10% change) large trace change predicted (1.71326e-09%) linmin: converged after 3 iterations. iteration 1852: trace = 2.393039434477874 (1.70785e-09% change) linmin: converged after 6 iterations. iteration 1853: trace = 2.39303943445434 (9.83457e-10% change) large trace change predicted (2.34054e-09%) linmin: converged after 3 iterations. iteration 1854: trace = 2.393039434398526 (2.33237e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039434377281 (8.87756e-10% change) large trace change predicted (2.73964e-09%) linmin: converged after 3 iterations. iteration 1856: trace = 2.393039434312235 (2.71816e-09% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039434277281 (1.46063e-09% change) large trace change predicted (3.22141e-09%) linmin: converged after 7 iterations. iteration 1858: trace = 2.393039434199886 (3.23419e-09% change) linmin: converged after 6 iterations. iteration 1859: trace = 2.39303943417769 (9.27524e-10% change) large trace change predicted (3.00258e-09%) linmin: converged after 5 iterations. iteration 1860: trace = 2.393039434105628 (3.01129e-09% change) linmin: converged after 3 iterations. iteration 1861: trace = 2.3930394340861 (8.16049e-10% change) linmin: converged after 3 iterations. iteration 1862: trace = 2.39303943406486 (8.87551e-10% change) linmin: converged after 3 iterations. iteration 1863: trace = 2.393039434048505 (6.83474e-10% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039434038708 (4.09361e-10% change) linmin: converged after 5 iterations. iteration 1865: trace = 2.393039434030361 (3.48807e-10% change) linmin: converged after 5 iterations. iteration 1866: trace = 2.393039434022309 (3.36485e-10% change) linmin: converged after 3 iterations. iteration 1867: trace = 2.393039434012162 (4.2404e-10% change) linmin: converged after 6 iterations. iteration 1868: trace = 2.393039434003842 (3.47675e-10% change) linmin: converged after 3 iterations. iteration 1869: trace = 2.393039433988787 (6.29082e-10% change) linmin: converged after 6 iterations. iteration 1870: trace = 2.393039433978263 (4.39814e-10% change) linmin: converged after 5 iterations. iteration 1871: trace = 2.393039433957409 (8.71406e-10% change) linmin: converged after 4 iterations. iteration 1872: trace = 2.393039433943766 (5.70143e-10% change) linmin: converged after 3 iterations. iteration 1873: trace = 2.393039433923201 (8.59344e-10% change) linmin: converged after 3 iterations. iteration 1874: trace = 2.393039433893358 (1.24707e-09% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039433876588 (7.00788e-10% change) linmin: converged after 4 iterations. iteration 1876: trace = 2.393039433852826 (9.92995e-10% change) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039433838712 (5.89759e-10% change) large trace change predicted (1.2533e-09%) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039433808313 (1.27034e-09% change) linmin: converged after 3 iterations. iteration 1879: trace = 2.393039433794997 (5.56429e-10% change) large trace change predicted (1.19387e-09%) linmin: converged after 5 iterations. iteration 1880: trace = 2.393039433766649 (1.18462e-09% change) linmin: converged after 6 iterations. iteration 1881: trace = 2.393039433752501 (5.91206e-10% change) linmin: converged after 3 iterations. iteration 1882: trace = 2.393039433727414 (1.04833e-09% change) linmin: converged after 3 iterations. iteration 1883: trace = 2.393039433703695 (9.91177e-10% change) linmin: converged after 4 iterations. iteration 1884: trace = 2.39303943369355 (4.2391e-10% change) linmin: converged after 3 iterations. iteration 1885: trace = 2.393039433674987 (7.75705e-10% change) linmin: converged after 4 iterations. iteration 1886: trace = 2.393039433670693 (1.79433e-10% change) linmin: converged after 3 iterations. iteration 1887: trace = 2.393039433664913 (2.41545e-10% change) linmin: converged after 3 iterations. iteration 1888: trace = 2.393039433658601 (2.63758e-10% change) linmin: converged after 3 iterations. iteration 1889: trace = 2.393039433654001 (1.92256e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) Finished solving for bands 2 to 10 after 1890 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: 11.819873332977295 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.4726064316793 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425743842929 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844417482463 (0.43222% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161848781773 (0.479383% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060275410308 (0.210061% change) linmin: converged after 8 iterations. iteration 6: trace = 2.423173496441477 (0.119061% change) linmin: converged after 6 iterations. iteration 7: trace = 2.421004974464662 (0.0895311% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230588502718 (0.0733182% change) linmin: converged after 5 iterations. iteration 9: trace = 2.418879966551738 (0.0144942% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217811138232 (0.0273782% change) linmin: converged after 4 iterations. iteration 11: trace = 2.41791661414678 (0.0124561% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553417119585 (0.0150222% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324392266428 (0.00947386% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053478147193 (0.0112078% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983339184622 (0.00290188% change) large trace change predicted (0.00610733%) linmin: converged after 3 iterations. iteration 16: trace = 2.41683413845168 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789893810626 (0.0018307% change) large trace change predicted (0.00505464%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666947212843 (0.00508732% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616681223286 (0.00207999% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550540418851 (0.00273695% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470727588368 (0.00330281% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391460051795 (0.00328036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340837484853 (0.00209499% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269502934743 (0.00295222% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222967868819 (0.00192592% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194248941607 (0.00118859% change) large trace change predicted (0.00530475%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065966449136 (0.00530942% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766155136 (0.00191223% change) large trace change predicted (0.00450147%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911185989398 (0.00449428% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826340151925 (0.00351202% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706050016934 (0.00497938% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628014634792 (0.00323039% change) large trace change predicted (0.0107004%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370536076258 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301752322894 (0.00284779% change) large trace change predicted (0.0088786%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087783883891 (0.00885926% change) linmin: converged after 4 iterations. iteration 36: trace = 2.41499630719488 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847790234521 (0.00614997% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719179207967 (0.00532599% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561279642779 (0.00653926% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484109960662 (0.00319606% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383085142223 (0.0041842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348660207591 (0.00142584% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292741164467 (0.00231614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262839432096 (0.00123854% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243275460592 (0.000810353% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221969413599 (0.000882518% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189342424333 (0.00135146% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175447826379 (0.000575541% change) large trace change predicted (0.00151726%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139131820406 (0.00150429% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108614772963 (0.0012641% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084439505118 (0.00100142% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051975715635 (0.00134478% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006541143371 (0.00188211% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987554951889 (0.000786504% change) large trace change predicted (0.00171873%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946350924714 (0.0017069% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918618368818 (0.00114885% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893179810757 (0.00105383% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859240154034 (0.00140602% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820611833855 (0.00160029% change) linmin: converged after 3 iterations. iteration 60: trace = 2.41379371660232 (0.00111422% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747556623282 (0.00191236% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717636611619 (0.00123957% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670772128531 (0.00194161% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608472937484 (0.00258113% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550361068726 (0.0024077% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476868707579 (0.00304504% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393443352889 (0.00345671% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361558952807 (0.00132115% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309206980998 (0.00216928% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292433617291 (0.000695038% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275725259813 (0.000692349% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247286264708 (0.00117845% change) linmin: converged after 5 iterations. iteration 73: trace = 2.413240949546879 (0.000262581% change) large trace change predicted (0.000686852%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224351266146 (0.000687803% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219298346457 (0.000209385% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214471341386 (0.000200024% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206821557941 (0.000316996% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202672014996 (0.000171952% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195507090028 (0.000296906% change) large trace change predicted (0.000675692%) linmin: converged after 3 iterations. iteration 80: trace = 2.413179123118357 (0.000678935% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174486119533 (0.000192153% change) large trace change predicted (0.000670701%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158287901495 (0.000671243% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137365157749 (0.000867031% change) linmin: converged after 4 iterations. iteration 84: trace = 2.41313205125692 (0.000220207% change) large trace change predicted (0.00137282%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098599305338 (0.00138626% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088249700511 (0.000428894% change) linmin: converged after 4 iterations. iteration 87: trace = 2.413069986749186 (0.000756832% change) linmin: converged after 5 iterations. iteration 88: trace = 2.413059110486709 (0.000450724% change) linmin: converged after 4 iterations. iteration 89: trace = 2.413054799908851 (0.000178636% change) large trace change predicted (0.000378474%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045656037611 (0.000378934% change) linmin: converged after 7 iterations. iteration 91: trace = 2.413029361528956 (0.00067527% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026310086575 (0.000126457% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009836157888 (0.000682711% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004932270046 (0.000203227% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000982549347 (0.000163685% change) large trace change predicted (0.000575076%) linmin: converged after 3 iterations. iteration 96: trace = 2.412987084441429 (0.000575969% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981962610885 (0.000212261% change) linmin: converged after 8 iterations. iteration 98: trace = 2.412974933898496 (0.000291288% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971633220663 (0.000136789% change) linmin: converged after 10 iterations. iteration 100: trace = 2.41296969963357 (8.01331e-05% change) large trace change predicted (0.000185934%) linmin: converged after 5 iterations. iteration 101: trace = 2.412965212817154 (0.000185946% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957829001476 (0.000306006% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955621846459 (9.1471e-05% change) large trace change predicted (0.000451406%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944779572966 (0.000449337% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939567470628 (0.000216006% change) large trace change predicted (0.000436625%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929065296473 (0.000435245% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912366097883 (0.000692074% change) linmin: converged after 4 iterations. iteration 108: trace = 2.41288272467351 (0.00122846% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866258143775 (0.000682445% change) large trace change predicted (0.0014041%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832868724427 (0.00138382% change) linmin: converged after 5 iterations. iteration 111: trace = 2.412826949669475 (0.000245316% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818867669138 (0.00033496% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807732728217 (0.000461492% change) linmin: converged after 4 iterations. iteration 114: trace = 2.412803749127395 (0.000165102% change) linmin: converged after 5 iterations. iteration 115: trace = 2.412797318292959 (0.00026653% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412796040493983 (5.29592e-05% change) large trace change predicted (0.000176609%) linmin: converged after 3 iterations. iteration 117: trace = 2.412791778982473 (0.000176621% change) linmin: converged after 6 iterations. iteration 118: trace = 2.412788945390335 (0.00011744% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787800517203 (4.74502e-05% change) large trace change predicted (0.00021539%) linmin: converged after 22 iterations. iteration 120: trace = 2.412782608800236 (0.000215175% change) linmin: converged after 4 iterations. iteration 121: trace = 2.412781603210585 (4.16776e-05% change) large trace change predicted (0.000159619%) linmin: converged after 5 iterations. iteration 122: trace = 2.412777756651581 (0.000159424% change) linmin: converged after 21 iterations. iteration 123: trace = 2.412776280560054 (6.11781e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.412774811197002 (6.08993e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773078731524 (7.18039e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 2.412772023610564 (4.37306e-05% change) large trace change predicted (0.000144159%) linmin: converged after 4 iterations. iteration 127: trace = 2.412768545458258 (0.000144156% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764329648909 (0.000174729% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762690065943 (6.79546e-05% change) large trace change predicted (0.00022691%) linmin: converged after 6 iterations. iteration 130: trace = 2.412757221377979 (0.000226657% change) linmin: converged after 5 iterations. iteration 131: trace = 2.412750327851664 (0.000285712% change) linmin: converged after 4 iterations. iteration 132: trace = 2.412744959840375 (0.000222485% change) large trace change predicted (0.000506633%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732720642922 (0.000507274% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730954631478 (7.31955e-05% change) large trace change predicted (0.000324304%) linmin: converged after 4 iterations. iteration 135: trace = 2.412723121123227 (0.000324674% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721615473608 (6.24046e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719153146647 (0.000102056% change) linmin: converged after 4 iterations. iteration 138: trace = 2.412714752145698 (0.000182409% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714235129618 (2.14288e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713784754152 (1.86668e-05% change) large trace change predicted (6.16167e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.41271229751497 (6.16418e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711741099932 (2.30618e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.412711423071571 (1.31814e-05% change) large trace change predicted (3.65187e-05%) linmin: converged after 5 iterations. iteration 144: trace = 2.412710541789183 (3.65266e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412709985002305 (2.30772e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709329303678 (2.71769e-05% change) large trace change predicted (5.48992e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.412708003504688 (5.49506e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707723343185 (1.16119e-05% change) large trace change predicted (2.45696e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.412707130431694 (2.45745e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706104507434 (4.25217e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.41270578257981 (1.3343e-05% change) large trace change predicted (4.36018e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704729568492 (4.36444e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.412704027168191 (2.91126e-05% change) linmin: converged after 5 iterations. iteration 154: trace = 2.412703564676231 (1.9169e-05% change) large trace change predicted (3.84611e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702635974135 (3.84922e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701345066634 (5.35046e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700860504454 (2.00838e-05% change) large trace change predicted (5.76405e-05%) linmin: converged after 3 iterations. iteration 158: trace = 2.412699467770541 (5.77251e-05% change) linmin: converged after 9 iterations. iteration 159: trace = 2.412698212583795 (5.20242e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697418810282 (3.28998e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.41269628746893 (4.68912e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695386092381 (3.73597e-05% change) linmin: converged after 16 iterations. iteration 163: trace = 2.412694301606301 (4.49492e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693066959875 (5.11729e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692869673331 (8.17703e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692596909532 (1.13054e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.412692065814359 (2.20126e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691967952765 (4.05612e-06% change) large trace change predicted (1.25534e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691664903453 (1.25606e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.41269151882399 (6.05463e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691323497366 (8.0958e-06% change) linmin: converged after 4 iterations. iteration 172: trace = 2.412691061031412 (1.08786e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690852587638 (8.63947e-06% change) large trace change predicted (1.90433e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690393063385 (1.90461e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689480174599 (3.7837e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.412689257332663 (9.23625e-06% change) large trace change predicted (2.93612e-05%) linmin: converged after 4 iterations. iteration 177: trace = 2.412688548625352 (2.93742e-05% change) linmin: converged after 7 iterations. iteration 178: trace = 2.412688113949724 (1.80162e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687759144954 (1.47058e-05% change) large trace change predicted (6.13178e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686278666822 (6.13622e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.412685892468328 (1.6007e-05% change) large trace change predicted (4.40884e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684828285347 (4.41078e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683959661672 (3.60024e-05% change) linmin: converged after 16 iterations. iteration 184: trace = 2.41268362907374 (1.37021e-05% change) large trace change predicted (2.87517e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682934717816 (2.87794e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.412682227654077 (2.93061e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412682000830988 (9.40128e-06% change) large trace change predicted (2.73337e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.412681341333945 (2.73346e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.412681249453636 (3.80822e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681126250548 (5.10648e-06% change) large trace change predicted (1.11581e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.412680857010287 (1.11594e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680817362095 (1.64333e-06% change) large trace change predicted (1.20263e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.412680527223247 (1.20256e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.412680393907443 (5.52563e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680280417886 (4.70388e-06% change) large trace change predicted (1.80685e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.412679844581648 (1.80644e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.412679498525944 (1.43432e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679148816449 (1.44947e-05% change) large trace change predicted (6.21807e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677648108339 (6.22009e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.412677368423382 (1.15923e-05% change) large trace change predicted (5.13172e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676129895467 (5.13342e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.412675255324041 (3.6249e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.412674857623696 (1.64838e-05% change) large trace change predicted (5.07416e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673633269721 (5.07468e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673233810707 (1.65567e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.412672620441537 (2.54228e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.41267212468961 (2.05478e-05% change) linmin: converged after 15 iterations. iteration 208: trace = 2.412671819520183 (1.26486e-05% change) large trace change predicted (3.39637e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.412671000128994 (3.3962e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670635038857 (1.51322e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670523083993 (4.64029e-06% change) large trace change predicted (1.04515e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670271047332 (1.04464e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670053721547 (9.00769e-06% change) linmin: converged after 5 iterations. iteration 214: trace = 2.412669936754242 (4.84804e-06% change) large trace change predicted (1.68391e-05%) linmin: converged after 4 iterations. iteration 215: trace = 2.412669530553186 (1.68362e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.412669438237494 (3.82629e-06% change) large trace change predicted (9.47496e-06%) linmin: converged after 3 iterations. iteration 217: trace = 2.412669209609661 (9.47614e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668914756718 (1.2221e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668820510233 (3.90632e-06% change) large trace change predicted (1.25473e-05%) linmin: converged after 23 iterations. iteration 220: trace = 2.412668517790209 (1.25471e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668212066454 (1.26716e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668105349921 (4.42317e-06% change) large trace change predicted (9.06687e-06%) linmin: converged after 4 iterations. iteration 223: trace = 2.412667886535738 (9.06939e-06% change) linmin: converged after 3 iterations. iteration 224: trace = 2.412667551571672 (1.38836e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.412667418317509 (5.52311e-06% change) large trace change predicted (1.77248e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666990673851 (1.77249e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666776970278 (8.85757e-06% change) linmin: converged after 5 iterations. iteration 228: trace = 2.412666431262663 (1.43289e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.412666125812491 (1.26603e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.412665851676855 (1.13624e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.412665377691057 (1.96457e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.412664779517022 (2.47931e-05% change) linmin: converged after 19 iterations. iteration 233: trace = 2.412664678921302 (4.16949e-06% change) large trace change predicted (8.35371e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664477366697 (8.35403e-06% change) linmin: converged after 17 iterations. iteration 235: trace = 2.412664310952648 (6.89752e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.412664249100853 (2.56363e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664165169105 (3.4788e-06% change) linmin: converged after 13 iterations. iteration 238: trace = 2.412664016321722 (6.16942e-06% change) linmin: converged after 13 iterations. iteration 239: trace = 2.412663996352473 (8.27685e-07% change) large trace change predicted (4.26442e-06%) linmin: converged after 4 iterations. iteration 240: trace = 2.41266389347136 (4.26421e-06% change) linmin: converged after 5 iterations. iteration 241: trace = 2.412663778283752 (4.77429e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.412663722755496 (2.30153e-06% change) large trace change predicted (1.0114e-05%) linmin: converged after 7 iterations. iteration 243: trace = 2.412663478869021 (1.01086e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.41266317212621 (1.27139e-05% change) linmin: converged after 6 iterations. iteration 245: trace = 2.41266297506366 (8.16784e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.41266271685295 (1.07023e-05% change) linmin: converged after 5 iterations. iteration 247: trace = 2.412662461733278 (1.05742e-05% change) linmin: converged after 18 iterations. iteration 248: trace = 2.412662228422914 (9.67025e-06% change) linmin: converged after 4 iterations. iteration 249: trace = 2.412661773182021 (1.88688e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.412661637750159 (5.61338e-06% change) large trace change predicted (2.26682e-05%) linmin: converged after 24 iterations. iteration 251: trace = 2.412661091485077 (2.26416e-05% change) linmin: converged after 7 iterations. iteration 252: trace = 2.412660438716966 (2.70559e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.412660310164648 (5.32824e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.412660085800419 (9.29945e-06% change) linmin: converged after 4 iterations. iteration 255: trace = 2.412659729610447 (1.47634e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.412659683191008 (1.92399e-06% change) large trace change predicted (1.0624e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659426946115 (1.06208e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.412659371642552 (2.29222e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659310609675 (2.52969e-06% change) large trace change predicted (5.13713e-06%) linmin: converged after 5 iterations. iteration 260: trace = 2.412659186680136 (5.13664e-06% change) linmin: converged after 12 iterations. iteration 261: trace = 2.412659125243518 (2.54643e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659033305007 (3.81067e-06% change) large trace change predicted (9.87101e-06%) linmin: converged after 5 iterations. iteration 263: trace = 2.412658795202499 (9.86888e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658738680189 (2.34274e-06% change) large trace change predicted (8.80589e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658526220048 (8.80606e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.412658132254595 (1.63291e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412658017236789 (4.76727e-06% change) large trace change predicted (3.84844e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.412657088640636 (3.84885e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656325874492 (3.16152e-05% change) linmin: converged after 10 iterations. iteration 270: trace = 2.412655894103643 (1.78961e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655342648407 (2.28568e-05% change) linmin: converged after 7 iterations. iteration 272: trace = 2.412654787288747 (2.30186e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654510433383 (1.14751e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654095695024 (1.71901e-05% change) linmin: converged after 4 iterations. iteration 275: trace = 2.412653995943947 (4.1345e-06% change) large trace change predicted (1.38231e-05%) linmin: converged after 2 iterations. iteration 276: trace = 2.412653662440402 (1.38231e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.412653369848869 (1.21274e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.412653158593952 (8.75612e-06% change) large trace change predicted (1.76163e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652733207408 (1.76315e-05% change) resetting CG direction... linmin: converged after 14 iterations. iteration 280: trace = 2.41265247281537 (1.07928e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382530291 (3.74215e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.412652272545112 (4.55868e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.412652153279442 (4.94334e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.412652069064122 (3.49057e-06% change) large trace change predicted (7.44781e-06%) linmin: converged after 3 iterations. iteration 285: trace = 2.412651889353411 (7.44868e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.412651807950601 (3.374e-06% change) large trace change predicted (8.55983e-06%) linmin: converged after 5 iterations. iteration 287: trace = 2.412651601399093 (8.56118e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.41265134776607 (1.05126e-05% change) linmin: converged after 6 iterations. iteration 289: trace = 2.412651210576856 (5.68624e-06% change) large trace change predicted (2.11423e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650700452094 (2.11437e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.412650186182307 (2.13156e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.412650005642272 (7.48306e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.41264964732795 (1.48515e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649281319745 (1.51704e-05% change) linmin: converged after 23 iterations. iteration 295: trace = 2.412649107305584 (7.21258e-06% change) large trace change predicted (1.4932e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648746990333 (1.49344e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.41264861779442 (5.35494e-06% change) linmin: converged after 7 iterations. iteration 298: trace = 2.4126484945826 (5.10691e-06% change) linmin: converged after 17 iterations. iteration 299: trace = 2.412648328066993 (6.90178e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.412648230735793 (4.03421e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648147144485 (3.46471e-06% change) large trace change predicted (7.7728e-06%) linmin: converged after 3 iterations. iteration 302: trace = 2.412647959596917 (7.77352e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.412647933716113 (1.07271e-06% change) large trace change predicted (6.04568e-06%) linmin: converged after 4 iterations. iteration 304: trace = 2.412647787829529 (6.04674e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647721862858 (2.7342e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.412647698379908 (9.73327e-07% change) large trace change predicted (5.64425e-06%) linmin: converged after 3 iterations. iteration 307: trace = 2.412647562163547 (5.64593e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647475723582 (3.58278e-06% change) linmin: converged after 4 iterations. iteration 309: trace = 2.412647438026662 (1.56247e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.41264738609407 (2.15251e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.412647290849673 (3.94771e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.412647253081221 (1.56544e-06% change) large trace change predicted (7.42294e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647073914257 (7.42616e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646885328721 (7.81654e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.412646663343649 (9.20089e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.412646318151616 (1.43076e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646214127668 (4.31161e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646067344193 (6.08392e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.41264583575738 (9.59887e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.412645804224127 (1.307e-06% change) large trace change predicted (7.61745e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.412645620375904 (7.62019e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.41264552950055 (3.76663e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645495391833 (1.41375e-06% change) large trace change predicted (3.06828e-06%) linmin: converged after 3 iterations. iteration 324: trace = 2.412645421363155 (3.06836e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.412645342340803 (3.27534e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.41264532264753 (8.16252e-07% change) large trace change predicted (4.32694e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645218238689 (4.32757e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.412645185232851 (1.36804e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645152284258 (1.36566e-06% change) linmin: converged after 13 iterations. iteration 330: trace = 2.412645099922987 (2.17028e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.412645076791193 (9.58773e-07% change) large trace change predicted (2.98895e-06%) linmin: converged after 4 iterations. iteration 332: trace = 2.412645004685459 (2.98866e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644884110045 (4.99764e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.412644834105687 (2.0726e-06% change) large trace change predicted (6.6527e-06%) linmin: converged after 3 iterations. iteration 335: trace = 2.412644673589769 (6.65311e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41264452848114 (6.0145e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.41264445678108 (2.97185e-06% change) large trace change predicted (1.39576e-05%) linmin: converged after 3 iterations. iteration 338: trace = 2.4126441200145 (1.39584e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643800907788 (1.32264e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643706491794 (3.91338e-06% change) large trace change predicted (8.6777e-06%) linmin: converged after 3 iterations. iteration 341: trace = 2.412643497094058 (8.67918e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.412643395308863 (4.21882e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643322490218 (3.01821e-06% change) large trace change predicted (6.51432e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.412643165327341 (6.51414e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643147370928 (7.44263e-07% change) large trace change predicted (2.9329e-06%) linmin: converged after 4 iterations. iteration 346: trace = 2.412643076620209 (2.9325e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.412643019204381 (2.37979e-06% change) linmin: converged after 6 iterations. iteration 348: trace = 2.412643001179429 (7.47104e-07% change) large trace change predicted (3.47784e-06%) linmin: converged after 14 iterations. iteration 349: trace = 2.412642917281606 (3.47742e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642860814064 (2.34048e-06% change) linmin: converged after 4 iterations. iteration 351: trace = 2.4126428466326 (5.87798e-07% change) large trace change predicted (1.85754e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642801821691 (1.85734e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.412642759873036 (1.7387e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642745167841 (6.09506e-07% change) large trace change predicted (4.8191e-06%) linmin: converged after 14 iterations. iteration 355: trace = 2.412642628896069 (4.81927e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642590783856 (1.57969e-06% change) large trace change predicted (4.07934e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.412642492332208 (4.08066e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642373403223 (4.92941e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642326373659 (1.9493e-06% change) large trace change predicted (8.97879e-06%) linmin: converged after 4 iterations. iteration 360: trace = 2.412642109757285 (8.97839e-06% change) linmin: converged after 17 iterations. iteration 361: trace = 2.412641927747216 (7.54401e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.412641826412623 (4.20015e-06% change) linmin: converged after 6 iterations. iteration 363: trace = 2.412641665571785 (6.66659e-06% change) linmin: converged after 5 iterations. iteration 364: trace = 2.412641550509427 (4.76914e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.412641493264817 (2.37269e-06% change) large trace change predicted (4.75837e-06%) linmin: converged after 24 iterations. iteration 366: trace = 2.412641378467331 (4.75817e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.412641347494812 (1.28376e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.412641300585301 (1.94432e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.412641258766916 (1.7333e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641211920094 (1.94172e-06% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641198268954 (5.65817e-07% change) large trace change predicted (2.9775e-06%) linmin: converged after 4 iterations. iteration 372: trace = 2.412641126436468 (2.97734e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412641114033097 (5.14099e-07% change) large trace change predicted (2.09934e-06%) linmin: converged after 22 iterations. iteration 374: trace = 2.412641063385723 (2.09925e-06% change) linmin: converged after 4 iterations. iteration 375: trace = 2.41264102127427 (1.74545e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412640986664866 (1.4345e-06% change) linmin: converged after 14 iterations. iteration 377: trace = 2.412640955207891 (1.30384e-06% change) large trace change predicted (3.37431e-06%) linmin: converged after 3 iterations. iteration 378: trace = 2.412640873816279 (3.37355e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.41264085548483 (7.59808e-07% change) large trace change predicted (3.97488e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.412640759608501 (3.97392e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640671475462 (3.65297e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640608200674 (2.62264e-06% change) large trace change predicted (8.67062e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.41264039919422 (8.66298e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.41264019909772 (8.29367e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640128006184 (2.94663e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001639197 (5.23771e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412639924331287 (3.20429e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.412639886110255 (1.5842e-06% change) large trace change predicted (3.84595e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639793340888 (3.84514e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.412639747643779 (1.89407e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639707895823 (1.64749e-06% change) linmin: converged after 5 iterations. iteration 392: trace = 2.4126396322545 (3.13521e-06% change) linmin: converged after 11 iterations. iteration 393: trace = 2.412639615539385 (6.92814e-07% change) large trace change predicted (1.57425e-06%) linmin: converged after 5 iterations. iteration 394: trace = 2.412639577561713 (1.57411e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520283287 (2.3741e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.412639510882351 (3.89654e-07% change) large trace change predicted (3.27357e-06%) linmin: converged after 3 iterations. iteration 397: trace = 2.412639431909297 (3.27331e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.412639406681856 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.412639373387683 (1.37999e-06% change) large trace change predicted (2.78365e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.41263930622236 (2.78389e-06% change) linmin: converged after 3 iterations. iteration 401: trace = 2.41263926222349 (1.82368e-06% change) linmin: converged after 8 iterations. iteration 402: trace = 2.412639206480723 (2.31045e-06% change) large trace change predicted (5.86802e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639064897671 (5.86839e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.412639033928283 (1.28363e-06% change) large trace change predicted (1.07094e-05%) linmin: converged after 3 iterations. iteration 405: trace = 2.41263877556923 (1.07086e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.412638628753053 (6.08529e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638525914129 (4.26251e-06% change) large trace change predicted (1.13211e-05%) linmin: converged after 4 iterations. iteration 408: trace = 2.412638252752962 (1.13221e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638016072187 (9.81004e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637947765857 (2.83119e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637835896647 (4.6368e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.412637777611123 (2.41584e-06% change) linmin: converged after 5 iterations. iteration 413: trace = 2.412637743025151 (1.43353e-06% change) large trace change predicted (2.96883e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.412637671396636 (2.96889e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.412637652685788 (7.75535e-07% change) large trace change predicted (1.67606e-06%) linmin: converged after 2 iterations. iteration 416: trace = 2.412637612247869 (1.67609e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.412637561461501 (2.10501e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.412637538178108 (9.6506e-07% change) large trace change predicted (2.09449e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.412637487645316 (2.0945e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.412637441782021 (1.90096e-06% change) linmin: converged after 19 iterations. iteration 421: trace = 2.41263742207711 (8.16737e-07% change) large trace change predicted (1.83148e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.412637377890678 (1.83146e-06% change) linmin: converged after 2 iterations. iteration 423: trace = 2.412637336676159 (1.70828e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.4126373204275 (6.73481e-07% change) large trace change predicted (2.60235e-06%) linmin: converged after 2 iterations. iteration 425: trace = 2.412637257641774 (2.60237e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.412637215579251 (1.74343e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.412637178234246 (1.54789e-06% change) large trace change predicted (3.8197e-06%) linmin: converged after 4 iterations. iteration 428: trace = 2.412637086076163 (3.81981e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.412637012246496 (3.06012e-06% change) large trace change predicted (6.57945e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.41263685350838 (6.57944e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636622479167 (9.5758e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.412636555197012 (2.78874e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.412636466973223 (3.65674e-06% change) large trace change predicted (7.39679e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.412636288454161 (7.39934e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.41263626488539 (9.76889e-07% change) large trace change predicted (3.91073e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.4126361705212 (3.91125e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636134789171 (1.48104e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.412636110007766 (1.02715e-06% change) linmin: converged after 9 iterations. iteration 439: trace = 2.412636071751146 (1.58568e-06% change) linmin: converged after 31 iterations. iteration 440: trace = 2.412636039109053 (1.35296e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.412636027007419 (5.01594e-07% change) large trace change predicted (1.92849e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.412635980474882 (1.9287e-06% change) linmin: converged after 18 iterations. iteration 443: trace = 2.412635969967932 (4.35497e-07% change) linmin: converged after 22 iterations. iteration 444: trace = 2.412635953132072 (6.9782e-07% change) large trace change predicted (1.71894e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.412635911653299 (1.71923e-06% change) linmin: converged after 6 iterations. iteration 446: trace = 2.412635887970593 (9.81611e-07% change) linmin: converged after 3 iterations. iteration 447: trace = 2.412635853330581 (1.43577e-06% change) linmin: converged after 28 iterations. iteration 448: trace = 2.412635819218591 (1.41389e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.41263579128726 (1.15771e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.412635767594516 (9.82027e-07% change) large trace change predicted (2.44905e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.412635708495891 (2.44955e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.412635681818879 (1.10572e-06% change) large trace change predicted (2.96295e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635610308005 (2.96401e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635491501598 (4.92434e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.412635469435086 (9.14623e-07% change) large trace change predicted (5.20183e-06%) linmin: converged after 3 iterations. iteration 456: trace = 2.412635343835833 (5.20589e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635286484016 (2.37714e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635269603972 (6.99652e-07% change) large trace change predicted (3.02647e-06%) linmin: converged after 5 iterations. iteration 459: trace = 2.412635196560519 (3.02754e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635172238826 (1.0081e-06% change) linmin: converged after 8 iterations. iteration 461: trace = 2.412635154385368 (7.39998e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.412635131292329 (9.57171e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635108744785 (9.34561e-07% change) linmin: converged after 16 iterations. iteration 464: trace = 2.412635101743762 (2.90182e-07% change) large trace change predicted (1.16654e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.412635073596187 (1.16667e-06% change) linmin: converged after 4 iterations. iteration 466: trace = 2.412635058993712 (6.0525e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.412635037158811 (9.05023e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.412635024141069 (5.39565e-07% change) linmin: converged after 30 iterations. iteration 469: trace = 2.412635008142534 (6.63115e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634984460535 (9.81582e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634956935237 (1.14088e-06% change) linmin: converged after 10 iterations. iteration 472: trace = 2.412634944192459 (5.28169e-07% change) large trace change predicted (1.28668e-06%) linmin: converged after 3 iterations. iteration 473: trace = 2.412634913153267 (1.28653e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.412634869708619 (1.80071e-06% change) linmin: converged after 21 iterations. iteration 475: trace = 2.412634848068069 (8.96967e-07% change) large trace change predicted (3.46409e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.412634764505052 (3.46356e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.41263471036239 (2.24413e-06% change) linmin: converged after 10 iterations. iteration 478: trace = 2.412634635393895 (3.10733e-06% change) linmin: converged after 7 iterations. iteration 479: trace = 2.412634534860379 (4.16696e-06% change) linmin: converged after 7 iterations. iteration 480: trace = 2.412634518482655 (6.78832e-07% change) large trace change predicted (1.83934e-06%) linmin: converged after 3 iterations. iteration 481: trace = 2.412634474106985 (1.8393e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.412634420821758 (2.20859e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.412634409981919 (4.49295e-07% change) large trace change predicted (1.56518e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.412634372224826 (1.56497e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.412634355634417 (6.87647e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.41263434750079 (3.37126e-07% change) linmin: converged after 22 iterations. iteration 487: trace = 2.412634334340625 (5.45469e-07% change) linmin: converged after 3 iterations. iteration 488: trace = 2.412634316078156 (7.56951e-07% change) linmin: converged after 2 iterations. iteration 489: trace = 2.412634307525388 (3.54499e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634299596417 (3.28644e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.412634285055379 (6.02704e-07% change) linmin: converged after 2 iterations. iteration 492: trace = 2.412634272558073 (5.17994e-07% change) linmin: converged after 7 iterations. iteration 493: trace = 2.412634264646269 (3.27932e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634250370039 (5.91728e-07% change) large trace change predicted (1.31076e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.412634218743278 (1.31088e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.412634203988838 (6.11549e-07% change) large trace change predicted (1.8689e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.412634158897655 (1.86896e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.412634138054461 (8.63919e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634110026821 (1.1617e-06% change) large trace change predicted (3.199e-06%) linmin: converged after 25 iterations. iteration 500: trace = 2.412634032844641 (3.19908e-06% change) linmin: converged after 7 iterations. iteration 501: trace = 2.412634006520998 (1.09107e-06% change) large trace change predicted (2.95013e-06%) linmin: converged after 3 iterations. iteration 502: trace = 2.412633935348479 (2.94999e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633879619551 (2.30988e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.412633860587332 (7.88856e-07% change) linmin: converged after 5 iterations. iteration 505: trace = 2.412633825955091 (1.43545e-06% change) linmin: converged after 4 iterations. iteration 506: trace = 2.41263379510816 (1.27856e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.412633788364843 (2.795e-07% change) large trace change predicted (1.04193e-06%) linmin: converged after 3 iterations. iteration 508: trace = 2.412633763225779 (1.04198e-06% change) linmin: converged after 11 iterations. iteration 509: trace = 2.412633748457454 (6.12125e-07% change) linmin: converged after 7 iterations. iteration 510: trace = 2.412633739660458 (3.64622e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.412633727964045 (4.84799e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.412633706215134 (9.01459e-07% change) linmin: converged after 36 iterations. iteration 513: trace = 2.412633701674881 (1.88187e-07% change) large trace change predicted (7.90887e-07%) linmin: converged after 3 iterations. iteration 514: trace = 2.4126336825949 (7.90836e-07% change) linmin: converged after 26 iterations. iteration 515: trace = 2.412633671110867 (4.75996e-07% change) linmin: converged after 3 iterations. iteration 516: trace = 2.412633664300462 (2.82281e-07% change) large trace change predicted (8.04113e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633644902835 (8.04002e-07% change) linmin: converged after 3 iterations. iteration 518: trace = 2.41263361871153 (1.08559e-06% change) linmin: converged after 18 iterations. iteration 519: trace = 2.412633612469993 (2.58702e-07% change) large trace change predicted (1.85648e-06%) linmin: converged after 16 iterations. iteration 520: trace = 2.412633567691794 (1.85599e-06% change) linmin: converged after 18 iterations. iteration 521: trace = 2.412633547023186 (8.56682e-07% change) linmin: converged after 30 iterations. iteration 522: trace = 2.41263352762141 (8.04174e-07% change) large trace change predicted (3.66672e-06%) linmin: converged after 4 iterations. iteration 523: trace = 2.41263343922431 (3.66393e-06% change) linmin: converged after 18 iterations. iteration 524: trace = 2.412633425038576 (5.87977e-07% change) large trace change predicted (3.21106e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347607506 (3.2094e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633293989531 (2.22238e-06% change) linmin: converged after 17 iterations. iteration 527: trace = 2.412633282814469 (4.63189e-07% change) large trace change predicted (1.38646e-06%) linmin: converged after 3 iterations. iteration 528: trace = 2.412633249369911 (1.38623e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.412633226182503 (9.61083e-07% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633217772954 (3.48563e-07% change) large trace change predicted (9.1847e-07%) linmin: converged after 3 iterations. iteration 531: trace = 2.412633195615594 (9.18389e-07% change) linmin: converged after 5 iterations. iteration 532: trace = 2.412633181151997 (5.99494e-07% change) linmin: converged after 3 iterations. iteration 533: trace = 2.412633163842421 (7.17456e-07% change) linmin: converged after 4 iterations. iteration 534: trace = 2.412633149836604 (5.8052e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.412633137535378 (5.09867e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.412633126023987 (4.7713e-07% change) large trace change predicted (1.09721e-06%) linmin: converged after 24 iterations. iteration 537: trace = 2.412633099552856 (1.09719e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.412633094260564 (2.19357e-07% change) large trace change predicted (8.15543e-07%) linmin: converged after 25 iterations. iteration 539: trace = 2.412633074585623 (8.15497e-07% change) linmin: converged after 17 iterations. iteration 540: trace = 2.412633055894965 (7.747e-07% change) linmin: converged after 14 iterations. iteration 541: trace = 2.412633047168399 (3.61703e-07% change) large trace change predicted (1.03022e-06%) linmin: converged after 6 iterations. iteration 542: trace = 2.412633022313367 (1.0302e-06% change) linmin: converged after 2 iterations. iteration 543: trace = 2.412632985204466 (1.53811e-06% change) linmin: converged after 5 iterations. iteration 544: trace = 2.412632972386088 (5.31302e-07% change) large trace change predicted (3.16438e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.412632896032461 (3.16474e-06% change) linmin: converged after 5 iterations. iteration 546: trace = 2.412632864620243 (1.30199e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632827819871 (1.52532e-06% change) large trace change predicted (5.18407e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.412632702723378 (5.18506e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.412632661512463 (1.70813e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.412632606275865 (2.28947e-06% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632569454538 (1.52619e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559393794 (4.17003e-07% change) large trace change predicted (9.9684e-07%) linmin: converged after 3 iterations. iteration 553: trace = 2.41263253534433 (9.96814e-07% change) linmin: converged after 8 iterations. iteration 554: trace = 2.412632516134743 (7.96209e-07% change) linmin: converged after 5 iterations. iteration 555: trace = 2.412632508945961 (2.97964e-07% change) linmin: converged after 17 iterations. iteration 556: trace = 2.412632496437547 (5.18455e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.412632479828672 (6.88413e-07% change) linmin: converged after 5 iterations. iteration 558: trace = 2.412632470882901 (3.70789e-07% change) large trace change predicted (8.7377e-07%) linmin: converged after 3 iterations. iteration 559: trace = 2.412632449802999 (8.7373e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.412632430509535 (7.99685e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.412632425070163 (2.25454e-07% change) large trace change predicted (7.81561e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.412632406214601 (7.81535e-07% change) linmin: converged after 4 iterations. iteration 563: trace = 2.412632395050036 (4.62755e-07% change) linmin: converged after 6 iterations. iteration 564: trace = 2.412632387292498 (3.21538e-07% change) large trace change predicted (7.00258e-07%) linmin: converged after 6 iterations. iteration 565: trace = 2.412632370398085 (7.00248e-07% change) linmin: converged after 23 iterations. iteration 566: trace = 2.412632355180013 (6.30766e-07% change) linmin: converged after 6 iterations. iteration 567: trace = 2.41263234258419 (5.22078e-07% change) large trace change predicted (1.44304e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.412632307769536 (1.44302e-06% change) linmin: converged after 28 iterations. iteration 569: trace = 2.412632297714972 (4.16747e-07% change) large trace change predicted (2.7581e-06%) linmin: converged after 6 iterations. iteration 570: trace = 2.412632231175007 (2.75798e-06% change) linmin: converged after 11 iterations. iteration 571: trace = 2.412632161979124 (2.86807e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632133637415 (1.17472e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.412632096635164 (1.53369e-06% change) linmin: converged after 27 iterations. iteration 574: trace = 2.412632043412803 (2.20599e-06% change) linmin: converged after 2 iterations. iteration 575: trace = 2.412632027974648 (6.39888e-07% change) linmin: converged after 4 iterations. iteration 576: trace = 2.412631999289264 (1.18897e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.41263199293719 (2.63284e-07% change) large trace change predicted (6.56123e-07%) linmin: converged after 14 iterations. iteration 578: trace = 2.412631977106666 (6.56152e-07% change) linmin: converged after 3 iterations. iteration 579: trace = 2.412631964825822 (5.09023e-07% change) linmin: converged after 12 iterations. iteration 580: trace = 2.412631950558348 (5.91366e-07% change) linmin: converged after 3 iterations. iteration 581: trace = 2.412631948001017 (1.05998e-07% change) large trace change predicted (6.36046e-07%) linmin: converged after 13 iterations. iteration 582: trace = 2.412631932654924 (6.36073e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.412631929921282 (1.13305e-07% change) large trace change predicted (2.48552e-07%) linmin: converged after 5 iterations. iteration 584: trace = 2.412631923924131 (2.48573e-07% change) large trace change predicted (6.35569e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.412631908588614 (6.35634e-07% change) linmin: converged after 23 iterations. iteration 586: trace = 2.412631906019616 (1.06481e-07% change) large trace change predicted (7.43488e-07%) linmin: converged after 4 iterations. iteration 587: trace = 2.412631888077842 (7.4366e-07% change) linmin: converged after 30 iterations. iteration 588: trace = 2.412631878688956 (3.89155e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631872146539 (2.71173e-07% change) large trace change predicted (5.9415e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631857810525 (5.94206e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.412631832086421 (1.06623e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631818296104 (5.71588e-07% change) linmin: converged after 6 iterations. iteration 593: trace = 2.412631797655271 (8.55532e-07% change) large trace change predicted (1.7394e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.412631755675351 (1.74001e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263174662151 (3.75268e-07% change) large trace change predicted (1.16874e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631718420116 (1.16891e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.412631683794476 (1.43518e-06% change) linmin: converged after 2 iterations. iteration 598: trace = 2.412631678633707 (2.13906e-07% change) large trace change predicted (1.15281e-06%) linmin: converged after 4 iterations. iteration 599: trace = 2.412631650812322 (1.15316e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631647766944 (1.26226e-07% change) large trace change predicted (5.54604e-07%) linmin: converged after 4 iterations. iteration 601: trace = 2.412631634385495 (5.54641e-07% change) linmin: converged after 4 iterations. iteration 602: trace = 2.412631626641236 (3.20988e-07% change) linmin: converged after 9 iterations. iteration 603: trace = 2.412631622527124 (1.70524e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.412631616376268 (2.54944e-07% change) linmin: converged after 5 iterations. iteration 605: trace = 2.412631607292374 (3.76514e-07% change) linmin: converged after 3 iterations. iteration 606: trace = 2.412631605311292 (8.21129e-08% change) large trace change predicted (4.63878e-07%) linmin: converged after 4 iterations. iteration 607: trace = 2.412631594119526 (4.63882e-07% change) linmin: converged after 21 iterations. iteration 608: trace = 2.412631589506675 (1.91196e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.412631584035406 (2.26776e-07% change) linmin: converged after 20 iterations. iteration 610: trace = 2.412631576344531 (3.18775e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631564470813 (4.92148e-07% change) linmin: converged after 7 iterations. iteration 612: trace = 2.412631561105966 (1.39468e-07% change) large trace change predicted (5.91241e-07%) linmin: converged after 4 iterations. iteration 613: trace = 2.412631546842259 (5.9121e-07% change) linmin: converged after 23 iterations. iteration 614: trace = 2.412631537900961 (3.70604e-07% change) linmin: converged after 11 iterations. iteration 615: trace = 2.412631524948237 (5.36871e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631500920552 (9.95912e-07% change) linmin: converged after 4 iterations. iteration 617: trace = 2.412631487772047 (5.44986e-07% change) large trace change predicted (1.27559e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.412631456995054 (1.27566e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631426358054 (1.26986e-06% change) linmin: converged after 7 iterations. iteration 620: trace = 2.412631419613459 (2.79553e-07% change) linmin: converged after 2 iterations. iteration 621: trace = 2.412631408731586 (4.51038e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.412631388669741 (8.31534e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.412631386320154 (9.73869e-08% change) large trace change predicted (6.43728e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.41263137078966 (6.43716e-07% change) linmin: converged after 20 iterations. iteration 625: trace = 2.412631367461358 (1.37953e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.412631364341196 (1.29326e-07% change) large trace change predicted (2.90043e-07%) linmin: converged after 3 iterations. iteration 627: trace = 2.412631357343453 (2.90046e-07% change) linmin: converged after 12 iterations. iteration 628: trace = 2.4126313523449 (2.07183e-07% change) linmin: converged after 3 iterations. iteration 629: trace = 2.412631348268566 (1.68958e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.412631344431736 (1.59031e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.41263134002685 (1.82576e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.412631335271176 (1.97116e-07% change) linmin: converged after 21 iterations. iteration 633: trace = 2.412631331331592 (1.6329e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631327488496 (1.59291e-07% change) large trace change predicted (6.02673e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631312948187 (6.02674e-07% change) linmin: converged after 3 iterations. iteration 636: trace = 2.412631310895454 (8.50828e-08% change) large trace change predicted (6.68107e-07%) linmin: converged after 37 iterations. iteration 637: trace = 2.412631294775867 (6.68133e-07% change) linmin: converged after 21 iterations. iteration 638: trace = 2.412631282575826 (5.05674e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631277626279 (2.05151e-07% change) large trace change predicted (9.74559e-07%) linmin: converged after 2 iterations. iteration 640: trace = 2.41263125411361 (9.74565e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631232998343 (8.75197e-07% change) linmin: converged after 4 iterations. iteration 642: trace = 2.412631220139265 (5.3299e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.412631199911996 (8.3839e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631191636586 (3.43004e-07% change) linmin: converged after 3 iterations. iteration 645: trace = 2.412631183279183 (3.46402e-07% change) linmin: converged after 4 iterations. iteration 646: trace = 2.412631171487007 (4.88768e-07% change) linmin: converged after 27 iterations. iteration 647: trace = 2.412631168954319 (1.04976e-07% change) large trace change predicted (3.63316e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.412631160188647 (3.63324e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631155897688 (1.77854e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.41263115193879 (1.6409e-07% change) linmin: converged after 3 iterations. iteration 651: trace = 2.412631147490684 (1.84367e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631140568475 (2.86915e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.412631138151422 (1.00183e-07% change) large trace change predicted (2.68793e-07%) linmin: converged after 14 iterations. iteration 654: trace = 2.412631131666535 (2.68789e-07% change) linmin: converged after 3 iterations. iteration 655: trace = 2.412631126515688 (2.13495e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.412631124514832 (8.29326e-08% change) large trace change predicted (2.48912e-07%) linmin: converged after 15 iterations. iteration 657: trace = 2.412631118509633 (2.48907e-07% change) linmin: converged after 6 iterations. iteration 658: trace = 2.412631107672285 (4.49192e-07% change) linmin: converged after 29 iterations. iteration 659: trace = 2.412631105516212 (8.93661e-08% change) large trace change predicted (6.99896e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631088633407 (6.99767e-07% change) linmin: converged after 9 iterations. iteration 661: trace = 2.412631079209359 (3.90613e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.412631073188543 (2.49554e-07% change) large trace change predicted (1.23242e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631043467748 (1.23188e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.412631033031287 (4.32576e-07% change) large trace change predicted (8.95433e-07%) linmin: converged after 3 iterations. iteration 665: trace = 2.41263101143478 (8.95143e-07% change) linmin: converged after 3 iterations. iteration 666: trace = 2.412630991360767 (8.32038e-07% change) linmin: converged after 34 iterations. iteration 667: trace = 2.412630986898685 (1.84947e-07% change) large trace change predicted (4.22379e-07%) linmin: converged after 20 iterations. iteration 668: trace = 2.412630976708886 (4.22352e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630967660475 (3.75043e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630964884708 (1.15051e-07% change) large trace change predicted (3.97667e-07%) linmin: converged after 8 iterations. iteration 671: trace = 2.412630955291559 (3.97622e-07% change) linmin: converged after 17 iterations. iteration 672: trace = 2.412630947961292 (3.03829e-07% change) linmin: converged after 21 iterations. iteration 673: trace = 2.412630943686239 (1.77195e-07% change) linmin: converged after 26 iterations. iteration 674: trace = 2.412630938138281 (2.29955e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.41263093180878 (2.62349e-07% change) linmin: converged after 3 iterations. iteration 676: trace = 2.412630930657883 (4.7703e-08% change) large trace change predicted (3.67868e-07%) linmin: converged after 3 iterations. iteration 677: trace = 2.412630921782811 (3.67859e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630917325379 (1.84754e-07% change) linmin: converged after 6 iterations. iteration 679: trace = 2.412630912868707 (1.84722e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.412630904878743 (3.31172e-07% change) linmin: converged after 10 iterations. iteration 681: trace = 2.412630901173149 (1.53591e-07% change) linmin: converged after 20 iterations. iteration 682: trace = 2.412630895258257 (2.45164e-07% change) large trace change predicted (6.06104e-07%) linmin: converged after 2 iterations. iteration 683: trace = 2.412630880635001 (6.06112e-07% change) linmin: converged after 3 iterations. iteration 684: trace = 2.412630877671996 (1.22812e-07% change) large trace change predicted (1.2113e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.41263084844553 (1.21139e-06% change) linmin: converged after 21 iterations. iteration 686: trace = 2.412630833135096 (6.34595e-07% change) linmin: converged after 2 iterations. iteration 687: trace = 2.41263082320165 (4.11727e-07% change) large trace change predicted (1.5899e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.41263078483906 (1.59007e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.412630774384965 (4.33307e-07% change) linmin: converged after 23 iterations. iteration 690: trace = 2.412630753695187 (8.57561e-07% change) linmin: converged after 3 iterations. iteration 691: trace = 2.412630743157435 (4.36774e-07% change) linmin: converged after 2 iterations. iteration 692: trace = 2.412630735803318 (3.04817e-07% change) linmin: converged after 2 iterations. iteration 693: trace = 2.41263073181322 (1.65384e-07% change) large trace change predicted (3.75496e-07%) linmin: converged after 12 iterations. iteration 694: trace = 2.412630722753758 (3.75501e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630720241677 (1.04122e-07% change) linmin: converged after 9 iterations. iteration 696: trace = 2.412630715328446 (2.03646e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630708769601 (2.71855e-07% change) linmin: converged after 2 iterations. iteration 698: trace = 2.412630706261897 (1.03941e-07% change) linmin: converged after 30 iterations. iteration 699: trace = 2.412630702052699 (1.74465e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630697984868 (1.68606e-07% change) linmin: converged after 2 iterations. iteration 701: trace = 2.412630695621315 (9.79658e-08% change) large trace change predicted (2.55182e-07%) linmin: converged after 19 iterations. iteration 702: trace = 2.412630689464828 (2.55177e-07% change) linmin: converged after 2 iterations. iteration 703: trace = 2.412630686994338 (1.02398e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.412630682256786 (1.96365e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630674275217 (3.30824e-07% change) linmin: converged after 7 iterations. iteration 706: trace = 2.412630671872351 (9.95953e-08% change) large trace change predicted (3.26983e-07%) linmin: converged after 12 iterations. iteration 707: trace = 2.412630663983398 (3.26986e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.4126306549498 (3.74429e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.412630651129749 (1.58336e-07% change) large trace change predicted (9.28137e-07%) linmin: converged after 4 iterations. iteration 710: trace = 2.412630628738105 (9.28101e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630612230513 (6.84215e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.412630593166302 (7.90184e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.412630580745255 (5.14834e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.412630567807815 (5.36238e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.412630557173796 (4.40764e-07% change) linmin: converged after 23 iterations. iteration 716: trace = 2.412630547752579 (3.90496e-07% change) linmin: converged after 3 iterations. iteration 717: trace = 2.412630544966766 (1.15468e-07% change) linmin: converged after 4 iterations. iteration 718: trace = 2.412630540674763 (1.77897e-07% change) linmin: converged after 3 iterations. iteration 719: trace = 2.412630535659631 (2.0787e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630533018452 (1.09473e-07% change) linmin: converged after 24 iterations. iteration 721: trace = 2.412630529554123 (1.43591e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.412630524119566 (2.25254e-07% change) linmin: converged after 39 iterations. iteration 723: trace = 2.412630523252263 (3.59484e-08% change) large trace change predicted (1.26153e-07%) linmin: converged after 13 iterations. iteration 724: trace = 2.412630520208611 (1.26155e-07% change) linmin: converged after 22 iterations. iteration 725: trace = 2.412630515590306 (1.91422e-07% change) linmin: converged after 4 iterations. iteration 726: trace = 2.41263051451737 (4.44716e-08% change) large trace change predicted (2.54155e-07%) linmin: converged after 18 iterations. iteration 727: trace = 2.412630508384789 (2.54187e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.41263050367689 (1.95135e-07% change) linmin: converged after 3 iterations. iteration 729: trace = 2.412630501519367 (8.94262e-08% change) large trace change predicted (1.91344e-07%) linmin: converged after 3 iterations. iteration 730: trace = 2.412630496902832 (1.91349e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.412630488937158 (3.30166e-07% change) linmin: converged after 2 iterations. iteration 732: trace = 2.41263048677312 (8.96962e-08% change) large trace change predicted (4.38042e-07%) linmin: converged after 28 iterations. iteration 733: trace = 2.412630476203662 (4.38089e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630464126485 (5.00581e-07% change) linmin: converged after 19 iterations. iteration 735: trace = 2.412630457786577 (2.6278e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.412630448537708 (3.83352e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.41263043528228 (5.49418e-07% change) linmin: converged after 3 iterations. iteration 738: trace = 2.412630432378604 (1.20353e-07% change) large trace change predicted (4.25244e-07%) linmin: converged after 4 iterations. iteration 739: trace = 2.412630422117292 (4.25316e-07% change) linmin: converged after 31 iterations. iteration 740: trace = 2.412630421162608 (3.95702e-08% change) large trace change predicted (2.18836e-07%) linmin: converged after 19 iterations. iteration 741: trace = 2.412630415882541 (2.18851e-07% change) linmin: converged after 3 iterations. iteration 742: trace = 2.412630413598977 (9.46504e-08% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630412505465 (4.53245e-08% change) large trace change predicted (1.26626e-07%) linmin: converged after 21 iterations. iteration 744: trace = 2.412630409450342 (1.2663e-07% change) linmin: converged after 7 iterations. iteration 745: trace = 2.412630406140488 (1.37189e-07% change) linmin: converged after 6 iterations. iteration 746: trace = 2.412630405455217 (2.84035e-08% change) large trace change predicted (1.57526e-07%) linmin: converged after 11 iterations. iteration 747: trace = 2.412630401654624 (1.57529e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630400040995 (6.68826e-08% change) linmin: converged after 3 iterations. iteration 749: trace = 2.412630398875223 (4.83195e-08% change) large trace change predicted (1.44433e-07%) linmin: converged after 23 iterations. iteration 750: trace = 2.412630395390554 (1.44434e-07% change) linmin: converged after 4 iterations. iteration 751: trace = 2.412630391577801 (1.58033e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.412630390239896 (5.54542e-08% change) large trace change predicted (1.41042e-07%) linmin: converged after 18 iterations. iteration 753: trace = 2.412630386837133 (1.4104e-07% change) linmin: converged after 7 iterations. iteration 754: trace = 2.412630380998193 (2.42016e-07% change) linmin: converged after 32 iterations. iteration 755: trace = 2.412630378758817 (9.28189e-08% change) large trace change predicted (3.85767e-07%) linmin: converged after 3 iterations. iteration 756: trace = 2.412630369452035 (3.85753e-07% change) linmin: converged after 16 iterations. iteration 757: trace = 2.412630361949772 (3.10958e-07% change) linmin: converged after 2 iterations. iteration 758: trace = 2.412630353931812 (3.32333e-07% change) linmin: converged after 9 iterations. iteration 759: trace = 2.412630343761267 (4.21554e-07% change) linmin: converged after 13 iterations. iteration 760: trace = 2.412630341641721 (8.78521e-08% change) large trace change predicted (2.09499e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630336587362 (2.09496e-07% change) linmin: converged after 9 iterations. iteration 762: trace = 2.412630330239075 (2.63127e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.41263032943413 (3.33638e-08% change) large trace change predicted (2.18555e-07%) linmin: converged after 8 iterations. iteration 764: trace = 2.412630324161313 (2.18551e-07% change) linmin: converged after 12 iterations. iteration 765: trace = 2.412630322968184 (4.94534e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.412630320703994 (9.38474e-08% change) linmin: converged after 8 iterations. iteration 767: trace = 2.412630319365513 (5.54781e-08% change) linmin: converged after 3 iterations. iteration 768: trace = 2.412630317527879 (7.61672e-08% change) linmin: converged after 9 iterations. iteration 769: trace = 2.412630315728442 (7.45841e-08% change) resetting CG direction... linmin: converged after 34 iterations. iteration 770: trace = 2.412630314002941 (7.15195e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630312334698 (6.91462e-08% change) linmin: converged after 4 iterations. iteration 772: trace = 2.412630311072657 (5.23098e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.412630310201734 (3.60985e-08% change) large trace change predicted (1.00858e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.412630307768393 (1.00858e-07% change) linmin: converged after 3 iterations. iteration 775: trace = 2.412630303398672 (1.81119e-07% change) linmin: converged after 7 iterations. iteration 776: trace = 2.412630302344466 (4.36953e-08% change) large trace change predicted (1.43487e-07%) linmin: converged after 28 iterations. iteration 777: trace = 2.412630298882664 (1.43487e-07% change) linmin: converged after 20 iterations. iteration 778: trace = 2.412630293349228 (2.29353e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.412630291782287 (6.49474e-08% change) large trace change predicted (3.79797e-07%) linmin: converged after 17 iterations. iteration 780: trace = 2.412630282619255 (3.79794e-07% change) linmin: converged after 18 iterations. iteration 781: trace = 2.412630278611255 (1.66126e-07% change) large trace change predicted (3.44064e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.412630270310145 (3.44069e-07% change) linmin: converged after 11 iterations. iteration 783: trace = 2.412630264638863 (2.35066e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630262012753 (1.08848e-07% change) linmin: converged after 2 iterations. iteration 785: trace = 2.412630257534532 (1.85616e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.412630253415061 (1.70746e-07% change) linmin: converged after 3 iterations. iteration 787: trace = 2.412630252621948 (3.28734e-08% change) large trace change predicted (1.43601e-07%) linmin: converged after 24 iterations. iteration 788: trace = 2.41263024915729 (1.43605e-07% change) linmin: converged after 3 iterations. iteration 789: trace = 2.412630247705548 (6.01726e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.412630246642179 (4.40751e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630244692875 (8.07958e-08% change) linmin: converged after 14 iterations. iteration 792: trace = 2.412630242850142 (7.63786e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630241342932 (6.24717e-08% change) linmin: converged after 24 iterations. iteration 794: trace = 2.412630238989813 (9.75333e-08% change) linmin: converged after 3 iterations. iteration 795: trace = 2.412630237919453 (4.43649e-08% change) linmin: converged after 26 iterations. iteration 796: trace = 2.41263023639565 (6.31594e-08% change) linmin: converged after 3 iterations. iteration 797: trace = 2.412630234404551 (8.25282e-08% change) linmin: converged after 22 iterations. iteration 798: trace = 2.412630231415624 (1.23887e-07% change) linmin: converged after 15 iterations. iteration 799: trace = 2.412630229447239 (8.15867e-08% change) large trace change predicted (2.53304e-07%) linmin: converged after 3 iterations. iteration 800: trace = 2.412630223336504 (2.53281e-07% change) linmin: converged after 14 iterations. iteration 801: trace = 2.412630219508458 (1.58667e-07% change) linmin: converged after 3 iterations. iteration 802: trace = 2.41263021656119 (1.2216e-07% change) large trace change predicted (4.23832e-07%) linmin: converged after 19 iterations. iteration 803: trace = 2.412630206338954 (4.23697e-07% change) linmin: converged after 11 iterations. iteration 804: trace = 2.412630200502285 (2.41921e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.412630194327604 (2.55931e-07% change) linmin: converged after 6 iterations. iteration 806: trace = 2.412630189155901 (2.1436e-07% change) linmin: converged after 23 iterations. iteration 807: trace = 2.412630184255125 (2.0313e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630183113364 (4.73243e-08% change) large trace change predicted (1.78707e-07%) linmin: converged after 5 iterations. iteration 809: trace = 2.412630178802017 (1.78699e-07% change) linmin: converged after 3 iterations. iteration 810: trace = 2.412630176103099 (1.11866e-07% change) linmin: converged after 15 iterations. iteration 811: trace = 2.412630174655609 (5.99964e-08% change) large trace change predicted (1.468e-07%) linmin: converged after 3 iterations. iteration 812: trace = 2.412630171114174 (1.46787e-07% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630170541555 (2.37342e-08% change) large trace change predicted (8.56223e-08%) linmin: converged after 6 iterations. iteration 814: trace = 2.412630168475846 (8.56206e-08% change) linmin: converged after 6 iterations. iteration 815: trace = 2.412630166425033 (8.50032e-08% change) linmin: converged after 3 iterations. iteration 816: trace = 2.41263016596134 (1.92194e-08% change) large trace change predicted (1.22756e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.412630162999704 (1.22756e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.412630161544896 (6.02997e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630160401213 (4.7404e-08% change) large trace change predicted (1.04857e-07%) linmin: converged after 3 iterations. iteration 820: trace = 2.412630157871396 (1.04857e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.412630155502437 (9.81899e-08% change) linmin: converged after 17 iterations. iteration 822: trace = 2.41263015373589 (7.32208e-08% change) large trace change predicted (2.11537e-07%) linmin: converged after 3 iterations. iteration 823: trace = 2.412630148632152 (2.11543e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.412630147596164 (4.29402e-08% change) large trace change predicted (4.24036e-07%) linmin: converged after 9 iterations. iteration 825: trace = 2.412630137365308 (4.24054e-07% change) linmin: converged after 4 iterations. iteration 826: trace = 2.412630131637216 (2.37421e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.412630125367094 (2.59887e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.412630115580674 (4.05633e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.412630106176529 (3.89788e-07% change) linmin: converged after 38 iterations. iteration 830: trace = 2.412630104317195 (7.70667e-08% change) large trace change predicted (1.84428e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.41263009986758 (1.8443e-07% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630097204729 (1.10371e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630096236547 (4.01297e-08% change) large trace change predicted (1.12539e-07%) linmin: converged after 9 iterations. iteration 834: trace = 2.412630093521376 (1.1254e-07% change) linmin: converged after 3 iterations. iteration 835: trace = 2.41263009130243 (9.19721e-08% change) linmin: converged after 3 iterations. iteration 836: trace = 2.41263009081976 (2.0006e-08% change) large trace change predicted (1.0333e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.412630088326788 (1.0333e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630087184927 (4.73285e-08% change) linmin: converged after 7 iterations. iteration 839: trace = 2.412630086005061 (4.89037e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 840: trace = 2.412630084853224 (4.77419e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630083775452 (4.46721e-08% change) large trace change predicted (9.87849e-08%) linmin: converged after 4 iterations. iteration 842: trace = 2.412630081392131 (9.87852e-08% change) linmin: converged after 3 iterations. iteration 843: trace = 2.412630080919055 (1.96083e-08% change) large trace change predicted (8.72356e-08%) linmin: converged after 19 iterations. iteration 844: trace = 2.412630078814388 (8.72354e-08% change) linmin: converged after 9 iterations. iteration 845: trace = 2.412630076522828 (9.49818e-08% change) linmin: converged after 3 iterations. iteration 846: trace = 2.412630075547689 (4.04181e-08% change) large trace change predicted (9.2334e-08%) linmin: converged after 4 iterations. iteration 847: trace = 2.412630073320048 (9.23325e-08% change) linmin: converged after 13 iterations. iteration 848: trace = 2.412630069081791 (1.7567e-07% change) linmin: converged after 2 iterations. iteration 849: trace = 2.412630067837733 (5.15644e-08% change) large trace change predicted (3.41124e-07%) linmin: converged after 30 iterations. iteration 850: trace = 2.412630059607968 (3.41112e-07% change) linmin: converged after 6 iterations. iteration 851: trace = 2.412630055236741 (1.81181e-07% change) linmin: converged after 14 iterations. iteration 852: trace = 2.412630048927199 (2.61521e-07% change) linmin: converged after 3 iterations. iteration 853: trace = 2.41263004326056 (2.34874e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.412630035362064 (3.27381e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.412630034623983 (3.05924e-08% change) large trace change predicted (1.22412e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.412630031670645 (1.22412e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.412630029864731 (7.48525e-08% change) linmin: converged after 9 iterations. iteration 858: trace = 2.412630029083334 (3.23878e-08% change) large trace change predicted (7.69998e-08%) linmin: converged after 3 iterations. iteration 859: trace = 2.412630027225611 (7.69999e-08% change) linmin: converged after 3 iterations. iteration 860: trace = 2.412630026050904 (4.86899e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.412630025045656 (4.16661e-08% change) linmin: converged after 2 iterations. iteration 862: trace = 2.412630023160149 (7.81515e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.412630022805833 (1.46859e-08% change) large trace change predicted (4.65662e-08%) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021682353 (4.65666e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.412630020105678 (6.53509e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.412630019766103 (1.40749e-08% change) large trace change predicted (9.34969e-08%) linmin: converged after 20 iterations. iteration 867: trace = 2.412630017510174 (9.3505e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630016426371 (4.4922e-08% change) linmin: converged after 7 iterations. iteration 869: trace = 2.412630015371302 (4.37311e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.412630013401023 (8.16652e-08% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630010552538 (1.18066e-07% change) linmin: converged after 3 iterations. iteration 872: trace = 2.4126300097959 (3.13615e-08% change) large trace change predicted (1.66541e-07%) linmin: converged after 5 iterations. iteration 873: trace = 2.412630005777557 (1.66554e-07% change) linmin: converged after 3 iterations. iteration 874: trace = 2.412630000327308 (2.25905e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629997601611 (1.12976e-07% change) linmin: converged after 3 iterations. iteration 876: trace = 2.412629996002416 (6.62843e-08% change) large trace change predicted (2.32807e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.412629990384681 (2.32847e-07% change) linmin: converged after 5 iterations. iteration 878: trace = 2.412629989772531 (2.53727e-08% change) large trace change predicted (1.47967e-07%) linmin: converged after 4 iterations. iteration 879: trace = 2.412629986202342 (1.47979e-07% change) linmin: converged after 16 iterations. iteration 880: trace = 2.412629985180147 (4.23685e-08% change) linmin: converged after 2 iterations. iteration 881: trace = 2.4126299837857 (5.77978e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.412629982846029 (3.8948e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629982045632 (3.31753e-08% change) linmin: converged after 28 iterations. iteration 884: trace = 2.412629981563856 (1.99689e-08% change) large trace change predicted (4.71691e-08%) linmin: converged after 3 iterations. iteration 885: trace = 2.412629980425849 (4.71688e-08% change) linmin: converged after 6 iterations. iteration 886: trace = 2.412629980010091 (1.72326e-08% change) large trace change predicted (5.13306e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.412629978771683 (5.13302e-08% change) linmin: converged after 3 iterations. iteration 888: trace = 2.412629978098695 (2.78943e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.412629977621283 (1.97881e-08% change) large trace change predicted (4.03133e-08%) linmin: converged after 3 iterations. iteration 890: trace = 2.412629976648673 (4.03133e-08% change) linmin: converged after 15 iterations. iteration 891: trace = 2.412629975084502 (6.48326e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.412629974734866 (1.44919e-08% change) large trace change predicted (6.46005e-08%) linmin: converged after 4 iterations. iteration 893: trace = 2.412629973176286 (6.46009e-08% change) linmin: converged after 10 iterations. iteration 894: trace = 2.412629971143999 (8.42353e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.412629970287078 (3.55181e-08% change) large trace change predicted (1.21358e-07%) linmin: converged after 7 iterations. iteration 896: trace = 2.412629967359126 (1.21359e-07% change) linmin: converged after 5 iterations. iteration 897: trace = 2.41262996325066 (1.7029e-07% change) linmin: converged after 10 iterations. iteration 898: trace = 2.412629961827745 (5.89777e-08% change) large trace change predicted (1.47248e-07%) linmin: converged after 13 iterations. iteration 899: trace = 2.412629958275279 (1.47245e-07% change) linmin: converged after 22 iterations. iteration 900: trace = 2.41262995762309 (2.70323e-08% change) large trace change predicted (6.70779e-08%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629956004767 (6.70771e-08% change) linmin: converged after 8 iterations. iteration 902: trace = 2.412629953853624 (8.91618e-08% change) linmin: converged after 6 iterations. iteration 903: trace = 2.412629952339011 (6.27785e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.412629951824864 (2.13106e-08% change) large trace change predicted (4.56631e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.412629950723184 (4.56631e-08% change) linmin: converged after 9 iterations. iteration 906: trace = 2.41262995043129 (1.20986e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.412629950115063 (1.31072e-08% change) large trace change predicted (4.82051e-08%) linmin: converged after 9 iterations. iteration 908: trace = 2.412629948952074 (4.82042e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.412629948000506 (3.94411e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.412629947096256 (3.74798e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.412629946063116 (4.28222e-08% change) linmin: converged after 13 iterations. iteration 912: trace = 2.412629945705591 (1.48189e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.412629945403778 (1.25097e-08% change) large trace change predicted (3.66869e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.412629944518654 (3.66871e-08% change) linmin: converged after 8 iterations. iteration 915: trace = 2.412629943941131 (2.39375e-08% change) linmin: converged after 19 iterations. iteration 916: trace = 2.412629942846111 (4.5387e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.41262994195871 (3.67815e-08% change) linmin: converged after 3 iterations. iteration 918: trace = 2.412629940945351 (4.20023e-08% change) linmin: converged after 32 iterations. iteration 919: trace = 2.412629939456953 (6.16919e-08% change) large trace change predicted (1.39475e-07%) linmin: converged after 4 iterations. iteration 920: trace = 2.412629936091918 (1.39476e-07% change) linmin: converged after 8 iterations. iteration 921: trace = 2.412629935440238 (2.70112e-08% change) large trace change predicted (1.37329e-07%) linmin: converged after 16 iterations. iteration 922: trace = 2.41262993212697 (1.3733e-07% change) linmin: converged after 9 iterations. iteration 923: trace = 2.412629929854697 (9.41824e-08% change) linmin: converged after 25 iterations. iteration 924: trace = 2.41262992903042 (3.41651e-08% change) large trace change predicted (6.89212e-08%) linmin: converged after 13 iterations. iteration 925: trace = 2.412629927367583 (6.89222e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925481372 (7.81807e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629925170021 (1.2905e-08% change) large trace change predicted (4.50779e-08%) linmin: converged after 2 iterations. iteration 928: trace = 2.412629924082459 (4.50779e-08% change) linmin: converged after 3 iterations. iteration 929: trace = 2.412629923616154 (1.93277e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629923335968 (1.16133e-08% change) large trace change predicted (3.70642e-08%) linmin: converged after 3 iterations. iteration 931: trace = 2.412629922441755 (3.70638e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.412629921545873 (3.7133e-08% change) linmin: converged after 3 iterations. iteration 933: trace = 2.412629921236584 (1.28196e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920621312 (2.55021e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919788004 (3.45394e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.412629919585213 (8.4054e-09% change) large trace change predicted (3.2847e-08%) linmin: converged after 3 iterations. iteration 937: trace = 2.412629918792752 (3.28463e-08% change) linmin: converged after 20 iterations. iteration 938: trace = 2.412629917916981 (3.62995e-08% change) linmin: converged after 3 iterations. iteration 939: trace = 2.412629917146474 (3.19364e-08% change) linmin: converged after 8 iterations. iteration 940: trace = 2.412629916255733 (3.69199e-08% change) large trace change predicted (8.63994e-08%) linmin: converged after 3 iterations. iteration 941: trace = 2.412629914171304 (8.63966e-08% change) linmin: converged after 10 iterations. iteration 942: trace = 2.412629913732433 (1.81906e-08% change) large trace change predicted (1.72939e-07%) linmin: converged after 22 iterations. iteration 943: trace = 2.412629909560476 (1.72922e-07% change) linmin: converged after 2 iterations. iteration 944: trace = 2.412629908693916 (3.59176e-08% change) large trace change predicted (1.61041e-07%) linmin: converged after 4 iterations. iteration 945: trace = 2.412629904808962 (1.61026e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.412629902806294 (8.30077e-08% change) linmin: converged after 12 iterations. iteration 947: trace = 2.412629901003231 (7.47343e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.412629900520371 (2.00138e-08% change) large trace change predicted (6.2617e-08%) linmin: converged after 8 iterations. iteration 949: trace = 2.412629899009689 (6.26156e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.412629897714054 (5.37022e-08% change) linmin: converged after 9 iterations. iteration 951: trace = 2.412629897292119 (1.74886e-08% change) large trace change predicted (4.40285e-08%) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896229895 (4.40277e-08% change) linmin: converged after 7 iterations. iteration 953: trace = 2.412629895835679 (1.63397e-08% change) linmin: converged after 31 iterations. iteration 954: trace = 2.41262989545988 (1.55763e-08% change) large trace change predicted (4.40494e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.412629894397146 (4.40488e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629894177326 (9.11121e-09% change) large trace change predicted (4.35654e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.41262989312627 (4.35648e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.412629892693353 (1.79438e-08% change) linmin: converged after 3 iterations. iteration 959: trace = 2.412629892094426 (2.48246e-08% change) linmin: converged after 5 iterations. iteration 960: trace = 2.412629891158984 (3.87727e-08% change) linmin: converged after 6 iterations. iteration 961: trace = 2.412629890450349 (2.93719e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.412629890044665 (1.6815e-08% change) large trace change predicted (7.79877e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.412629888163096 (7.79883e-08% change) linmin: converged after 3 iterations. iteration 964: trace = 2.412629886947771 (5.03734e-08% change) large trace change predicted (1.19346e-07%) linmin: converged after 4 iterations. iteration 965: trace = 2.412629884068335 (1.19348e-07% change) linmin: converged after 4 iterations. iteration 966: trace = 2.412629880344576 (1.54344e-07% change) linmin: converged after 10 iterations. iteration 967: trace = 2.412629877828252 (1.04298e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.412629876766644 (4.40021e-08% change) large trace change predicted (1.53344e-07%) linmin: converged after 24 iterations. iteration 969: trace = 2.41262987306691 (1.53349e-07% change) linmin: converged after 3 iterations. iteration 970: trace = 2.412629872084477 (4.07204e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.412629870941752 (4.73643e-08% change) linmin: converged after 4 iterations. iteration 972: trace = 2.412629869864672 (4.46434e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.41262986936404 (2.07505e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.412629868864745 (2.06951e-08% change) linmin: converged after 13 iterations. iteration 975: trace = 2.412629868071305 (3.28869e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.412629867904632 (6.90837e-09% change) large trace change predicted (4.18304e-08%) linmin: converged after 3 iterations. iteration 977: trace = 2.412629866895409 (4.18308e-08% change) linmin: converged after 4 iterations. iteration 978: trace = 2.412629866098786 (3.30189e-08% change) linmin: converged after 3 iterations. iteration 979: trace = 2.412629864748495 (5.59676e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629863545178 (4.98757e-08% change) linmin: converged after 8 iterations. iteration 981: trace = 2.412629862858517 (2.84611e-08% change) linmin: converged after 3 iterations. iteration 982: trace = 2.412629862100964 (3.13994e-08% change) linmin: converged after 3 iterations. iteration 983: trace = 2.412629861885926 (8.91302e-09% change) large trace change predicted (3.86844e-08%) linmin: converged after 4 iterations. iteration 984: trace = 2.412629860952619 (3.86842e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.412629860525339 (1.77102e-08% change) linmin: converged after 5 iterations. iteration 986: trace = 2.412629860196476 (1.36309e-08% change) large trace change predicted (3.9324e-08%) linmin: converged after 21 iterations. iteration 987: trace = 2.412629859247733 (3.9324e-08% change) linmin: converged after 17 iterations. iteration 988: trace = 2.412629858594462 (2.70772e-08% change) linmin: converged after 7 iterations. iteration 989: trace = 2.412629857614493 (4.06183e-08% change) large trace change predicted (1.15146e-07%) linmin: converged after 4 iterations. iteration 990: trace = 2.412629854836491 (1.15144e-07% change) linmin: converged after 19 iterations. iteration 991: trace = 2.412629854082428 (3.12548e-08% change) large trace change predicted (6.28935e-08%) linmin: converged after 4 iterations. iteration 992: trace = 2.412629852565037 (6.28937e-08% change) large trace change predicted (1.49805e-07%) linmin: converged after 3 iterations. iteration 993: trace = 2.412629848950882 (1.49801e-07% change) linmin: converged after 30 iterations. iteration 994: trace = 2.412629848207922 (3.07946e-08% change) large trace change predicted (7.84549e-08%) linmin: converged after 12 iterations. iteration 995: trace = 2.412629846315109 (7.84543e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.41262984535935 (3.96148e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.412629844930482 (1.7776e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.412629844252526 (2.81003e-08% change) linmin: converged after 3 iterations. iteration 999: trace = 2.412629843325026 (3.84435e-08% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.412629843164996 (6.63302e-09% change) large trace change predicted (2.14305e-08%) linmin: converged after 25 iterations. iteration 1001: trace = 2.412629842647958 (2.14305e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629842207104 (1.82728e-08% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.412629841946901 (1.0785e-08% change) linmin: converged after 10 iterations. iteration 1004: trace = 2.412629841632628 (1.30262e-08% change) large trace change predicted (2.69475e-08%) linmin: converged after 30 iterations. iteration 1005: trace = 2.412629840982474 (2.69479e-08% change) linmin: converged after 22 iterations. iteration 1006: trace = 2.412629840877706 (4.34251e-09% change) large trace change predicted (3.23115e-08%) linmin: converged after 5 iterations. iteration 1007: trace = 2.41262984009813 (3.23123e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.412629839751881 (1.43515e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.41262983958712 (6.82911e-09% change) large trace change predicted (4.12517e-08%) linmin: converged after 5 iterations. iteration 1010: trace = 2.412629838591845 (4.12527e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629838120655 (1.95301e-08% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.412629837510762 (2.52792e-08% change) large trace change predicted (6.32167e-08%) linmin: converged after 15 iterations. iteration 1013: trace = 2.412629835985489 (6.32203e-08% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.412629835631574 (1.46693e-08% change) large trace change predicted (7.57536e-08%) linmin: converged after 19 iterations. iteration 1015: trace = 2.412629833803829 (7.57574e-08% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.412629832362236 (5.9752e-08% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.412629831910247 (1.87343e-08% change) large trace change predicted (7.29303e-08%) linmin: converged after 22 iterations. iteration 1018: trace = 2.412629830150612 (7.29343e-08% change) linmin: converged after 27 iterations. iteration 1019: trace = 2.412629829443364 (2.93144e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629828968342 (1.9689e-08% change) linmin: converged after 9 iterations. iteration 1021: trace = 2.412629828506349 (1.91489e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.412629827984003 (2.16505e-08% change) linmin: converged after 31 iterations. iteration 1023: trace = 2.412629827616924 (1.52149e-08% change) linmin: converged after 16 iterations. iteration 1024: trace = 2.412629827409932 (8.57949e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629827030375 (1.57321e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.412629826909312 (5.01787e-09% change) large trace change predicted (1.45454e-08%) linmin: converged after 4 iterations. iteration 1027: trace = 2.412629826558385 (1.45454e-08% change) linmin: converged after 27 iterations. iteration 1028: trace = 2.412629826249745 (1.27927e-08% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629826162839 (3.60211e-09% change) large trace change predicted (1.99901e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629825680554 (1.999e-08% change) linmin: converged after 13 iterations. iteration 1031: trace = 2.41262982547264 (8.6177e-09% change) linmin: converged after 7 iterations. iteration 1032: trace = 2.412629825146364 (1.35237e-08% change) linmin: converged after 22 iterations. iteration 1033: trace = 2.412629824792251 (1.46775e-08% change) linmin: converged after 6 iterations. iteration 1034: trace = 2.412629824093842 (2.8948e-08% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.41262982367828 (1.72244e-08% change) large trace change predicted (4.03548e-08%) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629822704666 (4.03549e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.412629822310552 (1.63354e-08% change) large trace change predicted (7.0546e-08%) linmin: converged after 11 iterations. iteration 1038: trace = 2.412629820608553 (7.05454e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629819755971 (3.53383e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.412629819101847 (2.71125e-08% change) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629818478117 (2.58527e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.412629817860864 (2.55842e-08% change) linmin: converged after 34 iterations. iteration 1043: trace = 2.412629817739202 (5.04274e-09% change) large trace change predicted (2.31791e-08%) linmin: converged after 38 iterations. iteration 1044: trace = 2.412629817179984 (2.31788e-08% change) linmin: converged after 7 iterations. iteration 1045: trace = 2.412629817058231 (5.04646e-09% change) large trace change predicted (1.48557e-08%) linmin: converged after 24 iterations. iteration 1046: trace = 2.41262981669982 (1.48556e-08% change) linmin: converged after 14 iterations. iteration 1047: trace = 2.412629816529682 (7.05198e-09% change) linmin: converged after 6 iterations. iteration 1048: trace = 2.412629816447601 (3.40212e-09% change) large trace change predicted (1.03698e-08%) linmin: converged after 12 iterations. iteration 1049: trace = 2.412629816197413 (1.03699e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.412629815984674 (8.81769e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.412629815909481 (3.11667e-09% change) large trace change predicted (8.16028e-09%) linmin: converged after 4 iterations. iteration 1052: trace = 2.412629815712607 (8.16014e-09% change) linmin: converged after 2 iterations. iteration 1053: trace = 2.412629815440551 (1.12763e-08% change) linmin: converged after 22 iterations. iteration 1054: trace = 2.412629815353476 (3.60916e-09% change) large trace change predicted (2.10156e-08%) linmin: converged after 5 iterations. iteration 1055: trace = 2.412629814846445 (2.10157e-08% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.412629814710474 (5.63581e-09% change) large trace change predicted (1.94301e-08%) linmin: converged after 2 iterations. iteration 1057: trace = 2.412629814241695 (1.94302e-08% change) linmin: converged after 5 iterations. iteration 1058: trace = 2.412629813657432 (2.42169e-08% change) linmin: converged after 7 iterations. iteration 1059: trace = 2.412629813162883 (2.04983e-08% change) linmin: converged after 12 iterations. iteration 1060: trace = 2.412629812289742 (3.61904e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.412629811028063 (5.22948e-08% change) linmin: converged after 18 iterations. iteration 1062: trace = 2.412629810679151 (1.44619e-08% change) large trace change predicted (2.90844e-08%) linmin: converged after 32 iterations. iteration 1063: trace = 2.412629809977447 (2.90846e-08% change) linmin: converged after 11 iterations. iteration 1064: trace = 2.412629809486695 (2.0341e-08% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.412629809252496 (9.7072e-09% change) large trace change predicted (2.44557e-08%) linmin: converged after 24 iterations. iteration 1066: trace = 2.412629808662468 (2.44558e-08% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.412629808288325 (1.55077e-08% change) linmin: converged after 20 iterations. iteration 1068: trace = 2.412629808183221 (4.35642e-09% change) linmin: converged after 7 iterations. iteration 1069: trace = 2.412629808011935 (7.09954e-09% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.412629807738854 (1.13188e-08% change) linmin: converged after 2 iterations. iteration 1071: trace = 2.412629807677861 (2.52807e-09% change) large trace change predicted (1.5228e-08%) linmin: converged after 2 iterations. iteration 1072: trace = 2.412629807310466 (1.5228e-08% change) linmin: converged after 8 iterations. iteration 1073: trace = 2.412629807206427 (4.3123e-09% change) large trace change predicted (1.18308e-08%) linmin: converged after 32 iterations. iteration 1074: trace = 2.412629806920994 (1.18307e-08% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.412629806704846 (8.95906e-09% change) linmin: converged after 5 iterations. iteration 1076: trace = 2.412629806542727 (6.71959e-09% change) linmin: converged after 3 iterations. iteration 1077: trace = 2.412629806274798 (1.11052e-08% change) linmin: converged after 26 iterations. iteration 1078: trace = 2.412629805845823 (1.77804e-08% change) linmin: converged after 2 iterations. iteration 1079: trace = 2.412629805588176 (1.06791e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629805201436 (1.60298e-08% change) linmin: converged after 7 iterations. iteration 1081: trace = 2.41262980472553 (1.97256e-08% change) large trace change predicted (6.32318e-08%) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629803200066 (6.32283e-08% change) linmin: converged after 4 iterations. iteration 1083: trace = 2.412629802741909 (1.899e-08% change) large trace change predicted (5.37076e-08%) linmin: converged after 22 iterations. iteration 1084: trace = 2.412629801446201 (5.37052e-08% change) linmin: converged after 24 iterations. iteration 1085: trace = 2.412629800862739 (2.41837e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.412629800601384 (1.08328e-08% change) large trace change predicted (3.04478e-08%) linmin: converged after 10 iterations. iteration 1087: trace = 2.412629799866803 (3.04473e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629799350177 (2.14134e-08% change) linmin: converged after 29 iterations. iteration 1089: trace = 2.412629799225591 (5.1639e-09% change) large trace change predicted (1.89076e-08%) linmin: converged after 11 iterations. iteration 1090: trace = 2.412629798769434 (1.89071e-08% change) linmin: converged after 2 iterations. iteration 1091: trace = 2.412629798577574 (7.95231e-09% change) linmin: converged after 3 iterations. iteration 1092: trace = 2.412629798333592 (1.01127e-08% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.412629798124874 (8.65104e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.412629797939717 (7.67448e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.41262979777021 (7.02582e-09% change) large trace change predicted (1.5569e-08%) linmin: converged after 3 iterations. iteration 1096: trace = 2.412629797394588 (1.5569e-08% change) linmin: converged after 7 iterations. iteration 1097: trace = 2.412629797326813 (2.80918e-09% change) large trace change predicted (8.10864e-09%) linmin: converged after 4 iterations. iteration 1098: trace = 2.412629797131182 (8.10861e-09% change) linmin: converged after 25 iterations. iteration 1099: trace = 2.412629796756931 (1.55122e-08% change) linmin: converged after 11 iterations. iteration 1100: trace = 2.412629796595836 (6.67716e-09% change) large trace change predicted (1.55985e-08%) linmin: converged after 13 iterations. iteration 1101: trace = 2.412629796219503 (1.55985e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.41262979567259 (2.26687e-08% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.412629795547905 (5.168e-09% change) large trace change predicted (4.93729e-08%) linmin: converged after 2 iterations. iteration 1104: trace = 2.412629794356703 (4.93736e-08% change) linmin: converged after 22 iterations. iteration 1105: trace = 2.412629793449353 (3.76083e-08% change) linmin: converged after 32 iterations. iteration 1106: trace = 2.41262979269133 (3.1419e-08% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.412629791839958 (3.52881e-08% change) linmin: converged after 9 iterations. iteration 1108: trace = 2.412629790416732 (5.89906e-08% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.412629790204755 (8.78616e-09% change) large trace change predicted (2.22164e-08%) linmin: converged after 21 iterations. iteration 1110: trace = 2.412629789668755 (2.22164e-08% change) linmin: converged after 37 iterations. iteration 1111: trace = 2.412629789317712 (1.45502e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.412629789155554 (6.72119e-09% change) linmin: converged after 4 iterations. iteration 1113: trace = 2.412629788911368 (1.01212e-08% change) linmin: converged after 24 iterations. iteration 1114: trace = 2.412629788675285 (9.78527e-09% change) linmin: converged after 5 iterations. iteration 1115: trace = 2.412629788600126 (3.11525e-09% change) large trace change predicted (1.42705e-08%) linmin: converged after 3 iterations. iteration 1116: trace = 2.41262978825583 (1.42706e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.41262978816116 (3.92394e-09% change) large trace change predicted (1.74541e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629787740058 (1.74541e-08% change) large trace change predicted (6.3657e-08%) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786204226 (6.3658e-08% change) resetting CG direction... linmin: converged after 30 iterations. iteration 1120: trace = 2.412629785285744 (3.80698e-08% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.412629784620151 (2.75879e-08% change) linmin: converged after 22 iterations. iteration 1122: trace = 2.412629784332103 (1.19391e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.412629784238997 (3.85913e-09% change) large trace change predicted (1.05024e-08%) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629783985613 (1.05024e-08% change) linmin: converged after 15 iterations. iteration 1125: trace = 2.412629783779505 (8.54288e-09% change) linmin: converged after 14 iterations. iteration 1126: trace = 2.412629783693836 (3.55088e-09% change) large trace change predicted (8.91197e-09%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629783478826 (8.91184e-09% change) linmin: converged after 19 iterations. iteration 1128: trace = 2.412629783185753 (1.21474e-08% change) linmin: converged after 6 iterations. iteration 1129: trace = 2.412629783091349 (3.91289e-09% change) large trace change predicted (2.23757e-08%) linmin: converged after 9 iterations. iteration 1130: trace = 2.412629782551514 (2.23754e-08% change) linmin: converged after 8 iterations. iteration 1131: trace = 2.412629782250037 (1.24958e-08% change) large trace change predicted (2.58146e-08%) linmin: converged after 3 iterations. iteration 1132: trace = 2.412629781627233 (2.58143e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629781118458 (2.1088e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629780624438 (2.04764e-08% change) linmin: converged after 27 iterations. iteration 1135: trace = 2.412629779799263 (3.42023e-08% change) linmin: converged after 5 iterations. iteration 1136: trace = 2.412629779002777 (3.30132e-08% change) linmin: converged after 6 iterations. iteration 1137: trace = 2.412629778802315 (8.30889e-09% change) linmin: converged after 30 iterations. iteration 1138: trace = 2.41262977864878 (6.36376e-09% change) large trace change predicted (1.44523e-08%) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629778300097 (1.44524e-08% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.41262977804243 (1.06799e-08% change) linmin: converged after 2 iterations. iteration 1141: trace = 2.412629777972584 (2.89497e-09% change) large trace change predicted (1.20991e-08%) linmin: converged after 2 iterations. iteration 1142: trace = 2.412629777680676 (1.20992e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.412629777627251 (2.21438e-09% change) large trace change predicted (6.60275e-09%) linmin: converged after 6 iterations. iteration 1144: trace = 2.412629777467953 (6.60269e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629777328626 (5.77491e-09% change) linmin: converged after 18 iterations. iteration 1146: trace = 2.412629777281504 (1.95315e-09% change) large trace change predicted (7.51945e-09%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629777100085 (7.51955e-09% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629776899561 (8.31141e-09% change) linmin: converged after 17 iterations. iteration 1149: trace = 2.412629776856743 (1.77475e-09% change) large trace change predicted (6.23329e-09%) linmin: converged after 6 iterations. iteration 1150: trace = 2.412629776706354 (6.23339e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629776455408 (1.04013e-08% change) linmin: converged after 3 iterations. iteration 1152: trace = 2.412629776329157 (5.23292e-09% change) linmin: converged after 4 iterations. iteration 1153: trace = 2.4126297760858 (1.00868e-08% change) large trace change predicted (2.52895e-08%) linmin: converged after 10 iterations. iteration 1154: trace = 2.412629775475638 (2.52903e-08% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.412629775355432 (4.98239e-09% change) large trace change predicted (3.10659e-08%) linmin: converged after 14 iterations. iteration 1156: trace = 2.412629774605901 (3.1067e-08% change) linmin: converged after 11 iterations. iteration 1157: trace = 2.412629774238465 (1.52297e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774098556 (5.79902e-09% change) large trace change predicted (2.37378e-08%) linmin: converged after 7 iterations. iteration 1159: trace = 2.412629773525842 (2.37382e-08% change) linmin: converged after 6 iterations. iteration 1160: trace = 2.41262977323481 (1.20628e-08% change) linmin: converged after 23 iterations. iteration 1161: trace = 2.4126297731781 (2.35057e-09% change) large trace change predicted (7.86384e-09%) linmin: converged after 6 iterations. iteration 1162: trace = 2.412629772988374 (7.86387e-09% change) linmin: converged after 10 iterations. iteration 1163: trace = 2.412629772801721 (7.73647e-09% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.412629772738612 (2.61578e-09% change) linmin: converged after 6 iterations. iteration 1165: trace = 2.412629772656318 (3.41096e-09% change) large trace change predicted (8.49693e-09%) linmin: converged after 29 iterations. iteration 1166: trace = 2.412629772451317 (8.49703e-09% change) linmin: converged after 6 iterations. iteration 1167: trace = 2.412629772424772 (1.10025e-09% change) large trace change predicted (6.62217e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.412629772265004 (6.62214e-09% change) linmin: converged after 12 iterations. iteration 1169: trace = 2.412629772217689 (1.96114e-09% change) linmin: converged after 22 iterations. iteration 1170: trace = 2.412629772171407 (1.91831e-09% change) large trace change predicted (4.56178e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629772061349 (4.56173e-09% change) linmin: converged after 3 iterations. iteration 1172: trace = 2.412629771978395 (3.43833e-09% change) linmin: converged after 23 iterations. iteration 1173: trace = 2.412629771870292 (4.48072e-09% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.412629771677091 (8.0079e-09% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629771578531 (4.08518e-09% change) linmin: converged after 24 iterations. iteration 1176: trace = 2.412629771400784 (7.36734e-09% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.412629771106779 (1.21861e-08% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629770816844 (1.20174e-08% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629770432511 (1.59301e-08% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.412629770139651 (1.21386e-08% change) linmin: converged after 4 iterations. iteration 1181: trace = 2.412629769998484 (5.85117e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.412629769799624 (8.24246e-09% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.412629769495837 (1.25915e-08% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.412629769466725 (1.20666e-09% change) large trace change predicted (7.2298e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629769292296 (7.22984e-09% change) linmin: converged after 9 iterations. iteration 1186: trace = 2.412629769190405 (4.22321e-09% change) linmin: converged after 20 iterations. iteration 1187: trace = 2.412629769163527 (1.11404e-09% change) large trace change predicted (3.41711e-09%) linmin: converged after 4 iterations. iteration 1188: trace = 2.412629769081087 (3.41705e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629769046571 (1.43064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1190: trace = 2.412629769024984 (8.94739e-10% change) large trace change predicted (3.7042e-09%) linmin: converged after 18 iterations. iteration 1191: trace = 2.412629768935619 (3.70405e-09% change) linmin: converged after 18 iterations. iteration 1192: trace = 2.412629768911174 (1.01321e-09% change) large trace change predicted (3.6588e-09%) linmin: converged after 3 iterations. iteration 1193: trace = 2.412629768822903 (3.65871e-09% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.412629768713915 (4.51741e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.412629768649593 (2.66605e-09% change) linmin: converged after 20 iterations. iteration 1196: trace = 2.412629768567772 (3.39137e-09% change) large trace change predicted (1.2651e-08%) linmin: converged after 26 iterations. iteration 1197: trace = 2.412629768262549 (1.2651e-08% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.412629768204813 (2.39306e-09% change) large trace change predicted (1.49944e-08%) linmin: converged after 4 iterations. iteration 1199: trace = 2.412629767843053 (1.49944e-08% change) linmin: converged after 7 iterations. iteration 1200: trace = 2.412629767641397 (8.35839e-09% change) linmin: converged after 3 iterations. iteration 1201: trace = 2.412629767510981 (5.40554e-09% change) large trace change predicted (1.75094e-08%) linmin: converged after 20 iterations. iteration 1202: trace = 2.412629767088543 (1.75094e-08% change) linmin: converged after 5 iterations. iteration 1203: trace = 2.412629766844732 (1.01056e-08% change) linmin: converged after 22 iterations. iteration 1204: trace = 2.412629766789431 (2.29215e-09% change) large trace change predicted (7.40759e-09%) linmin: converged after 7 iterations. iteration 1205: trace = 2.412629766610714 (7.40754e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629766545879 (2.68733e-09% change) linmin: converged after 16 iterations. iteration 1207: trace = 2.412629766491425 (2.25703e-09% change) linmin: converged after 14 iterations. iteration 1208: trace = 2.412629766410604 (3.34994e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629766322941 (3.63349e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.412629766300547 (9.28202e-10% change) large trace change predicted (4.56964e-09%) linmin: converged after 27 iterations. iteration 1211: trace = 2.4126297661903 (4.56956e-09% change) linmin: converged after 28 iterations. iteration 1212: trace = 2.412629766159679 (1.26923e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.412629766107209 (2.17479e-09% change) large trace change predicted (6.15387e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629765958738 (6.15393e-09% change) linmin: converged after 15 iterations. iteration 1215: trace = 2.412629765937721 (8.71123e-10% change) large trace change predicted (6.05422e-09%) linmin: converged after 6 iterations. iteration 1216: trace = 2.412629765791655 (6.0542e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629765696566 (3.94133e-09% change) linmin: converged after 5 iterations. iteration 1218: trace = 2.412629765652163 (1.84041e-09% change) large trace change predicted (5.42084e-09%) linmin: converged after 4 iterations. iteration 1219: trace = 2.412629765521383 (5.42067e-09% change) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629765292854 (9.47217e-09% change) linmin: converged after 27 iterations. iteration 1221: trace = 2.412629764865739 (1.77033e-08% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.412629764759303 (4.41161e-09% change) large trace change predicted (8.85154e-09%) linmin: converged after 4 iterations. iteration 1223: trace = 2.412629764545749 (8.85149e-09% change) large trace change predicted (2.17488e-08%) linmin: converged after 4 iterations. iteration 1224: trace = 2.41262976402105 (2.1748e-08% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.412629763896617 (5.15758e-09% change) large trace change predicted (1.04014e-08%) linmin: converged after 10 iterations. iteration 1226: trace = 2.412629763645672 (1.04013e-08% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629763491985 (6.37011e-09% change) linmin: converged after 12 iterations. iteration 1228: trace = 2.41262976344217 (2.06477e-09% change) large trace change predicted (4.41001e-09%) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763335776 (4.40988e-09% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.412629763253042 (3.42922e-09% change) linmin: converged after 18 iterations. iteration 1231: trace = 2.412629763224399 (1.18719e-09% change) large trace change predicted (4.93031e-09%) linmin: converged after 6 iterations. iteration 1232: trace = 2.412629763105451 (4.93024e-09% change) linmin: converged after 2 iterations. iteration 1233: trace = 2.41262976305002 (2.29751e-09% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.412629762988576 (2.54679e-09% change) linmin: converged after 19 iterations. iteration 1235: trace = 2.412629762925001 (2.63507e-09% change) linmin: converged after 17 iterations. iteration 1236: trace = 2.412629762860254 (2.68368e-09% change) linmin: converged after 3 iterations. iteration 1237: trace = 2.412629762793069 (2.78472e-09% change) large trace change predicted (6.29148e-09%) linmin: converged after 12 iterations. iteration 1238: trace = 2.412629762641278 (6.2915e-09% change) linmin: converged after 20 iterations. iteration 1239: trace = 2.412629762605794 (1.4708e-09% change) large trace change predicted (6.40834e-09%) linmin: converged after 13 iterations. iteration 1240: trace = 2.412629762451185 (6.40831e-09% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.412629762323697 (5.28417e-09% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.41262976226478 (2.44206e-09% change) large trace change predicted (7.71381e-09%) linmin: converged after 4 iterations. iteration 1243: trace = 2.412629762078673 (7.71385e-09% change) large trace change predicted (1.60411e-08%) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629761691659 (1.60411e-08% change) linmin: converged after 6 iterations. iteration 1245: trace = 2.412629761629774 (2.56505e-09% change) large trace change predicted (2.57066e-08%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761009558 (2.57071e-08% change) linmin: converged after 16 iterations. iteration 1247: trace = 2.412629760625591 (1.59149e-08% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.412629760544272 (3.37055e-09% change) linmin: converged after 5 iterations. iteration 1249: trace = 2.412629760413328 (5.42744e-09% change) linmin: converged after 3 iterations. iteration 1250: trace = 2.412629760264432 (6.1715e-09% change) linmin: converged after 6 iterations. iteration 1251: trace = 2.4126297602213 (1.78775e-09% change) large trace change predicted (5.26641e-09%) linmin: converged after 21 iterations. iteration 1252: trace = 2.412629760094243 (5.26637e-09% change) linmin: converged after 19 iterations. iteration 1253: trace = 2.412629760044959 (2.04274e-09% change) linmin: converged after 3 iterations. iteration 1254: trace = 2.412629759973019 (2.9818e-09% change) linmin: converged after 8 iterations. iteration 1255: trace = 2.412629759890832 (3.40652e-09% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.412629759817618 (3.03465e-09% change) linmin: converged after 2 iterations. iteration 1257: trace = 2.412629759793456 (1.00148e-09% change) large trace change predicted (1.76927e-08%) linmin: converged after 24 iterations. iteration 1258: trace = 2.412629759366595 (1.76927e-08% change) linmin: converged after 2 iterations. iteration 1259: trace = 2.412629758539749 (3.42716e-08% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1260: trace = 2.412629757814551 (3.00584e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629757475903 (1.40365e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.412629757440358 (1.4733e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629757391596 (2.02113e-09% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.412629757294078 (4.04196e-09% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.412629757279372 (6.09525e-10% change) large trace change predicted (3.28627e-09%) linmin: converged after 4 iterations. iteration 1266: trace = 2.412629757200087 (3.28627e-09% change) linmin: converged after 5 iterations. iteration 1267: trace = 2.412629757132211 (2.81338e-09% change) linmin: converged after 8 iterations. iteration 1268: trace = 2.412629757095654 (1.51522e-09% change) large trace change predicted (3.03193e-09%) linmin: converged after 23 iterations. iteration 1269: trace = 2.41262975702251 (3.03172e-09% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.412629756895682 (5.25685e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.412629756858187 (1.55409e-09% change) large trace change predicted (1.02554e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629756610763 (1.02554e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.41262975654644 (2.66612e-09% change) large trace change predicted (9.45677e-09%) linmin: converged after 15 iterations. iteration 1274: trace = 2.412629756318284 (9.4567e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.412629756161828 (6.48488e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.41262975592667 (9.74698e-09% change) linmin: converged after 17 iterations. iteration 1277: trace = 2.412629755840423 (3.57478e-09% change) linmin: converged after 21 iterations. iteration 1278: trace = 2.412629755705498 (5.59246e-09% change) linmin: converged after 5 iterations. iteration 1279: trace = 2.412629755648356 (2.36845e-09% change) linmin: converged after 2 iterations. iteration 1280: trace = 2.412629755578045 (2.91428e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.412629755509844 (2.82683e-09% change) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629755406726 (4.27409e-09% change) linmin: converged after 13 iterations. iteration 1283: trace = 2.412629755393111 (5.64354e-10% change) large trace change predicted (2.95764e-09%) linmin: converged after 4 iterations. iteration 1284: trace = 2.412629755321753 (2.95765e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629755294154 (1.14395e-09% change) linmin: converged after 25 iterations. iteration 1286: trace = 2.412629755282462 (4.84616e-10% change) large trace change predicted (2.30047e-09%) linmin: converged after 5 iterations. iteration 1287: trace = 2.412629755226958 (2.30058e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629755204038 (9.49996e-10% change) linmin: converged after 8 iterations. iteration 1289: trace = 2.41262975516616 (1.56998e-09% change) linmin: converged after 12 iterations. iteration 1290: trace = 2.412629755112498 (2.22423e-09% change) linmin: converged after 19 iterations. iteration 1291: trace = 2.412629755075933 (1.51557e-09% change) linmin: converged after 10 iterations. iteration 1292: trace = 2.412629755033724 (1.7495e-09% change) large trace change predicted (3.91898e-09%) linmin: converged after 20 iterations. iteration 1293: trace = 2.412629754939174 (3.91895e-09% change) linmin: converged after 10 iterations. iteration 1294: trace = 2.412629754877637 (2.55064e-09% change) large trace change predicted (5.84573e-09%) linmin: converged after 8 iterations. iteration 1295: trace = 2.412629754736601 (5.84572e-09% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.412629754510858 (9.35674e-09% change) linmin: converged after 23 iterations. iteration 1297: trace = 2.412629754444356 (2.75641e-09% change) linmin: converged after 5 iterations. iteration 1298: trace = 2.41262975437153 (3.01852e-09% change) large trace change predicted (8.36449e-09%) linmin: converged after 14 iterations. iteration 1299: trace = 2.412629754169724 (8.36457e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.412629754144384 (1.0503e-09% change) large trace change predicted (3.95064e-09%) linmin: converged after 25 iterations. iteration 1301: trace = 2.412629754049071 (3.95059e-09% change) linmin: converged after 6 iterations. iteration 1302: trace = 2.412629753998836 (2.08216e-09% change) linmin: converged after 8 iterations. iteration 1303: trace = 2.41262975395666 (1.74815e-09% change) linmin: converged after 18 iterations. iteration 1304: trace = 2.412629753934212 (9.30411e-10% change) large trace change predicted (2.17887e-09%) linmin: converged after 27 iterations. iteration 1305: trace = 2.412629753881643 (2.17891e-09% change) linmin: converged after 20 iterations. iteration 1306: trace = 2.41262975385131 (1.25726e-09% change) linmin: converged after 33 iterations. iteration 1307: trace = 2.412629753796222 (2.28333e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.412629753756786 (1.63457e-09% change) linmin: converged after 17 iterations. iteration 1309: trace = 2.412629753743622 (5.45616e-10% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629753729929 (5.67538e-10% change) large trace change predicted (1.55783e-09%) linmin: converged after 4 iterations. iteration 1311: trace = 2.412629753692345 (1.55781e-09% change) linmin: converged after 9 iterations. iteration 1312: trace = 2.412629753684235 (3.36146e-10% change) large trace change predicted (1.9634e-09%) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629753636868 (1.96329e-09% change) linmin: converged after 16 iterations. iteration 1314: trace = 2.412629753584214 (2.18245e-09% change) linmin: converged after 9 iterations. iteration 1315: trace = 2.412629753562221 (9.11581e-10% change) large trace change predicted (2.65107e-09%) linmin: converged after 4 iterations. iteration 1316: trace = 2.412629753498263 (2.65095e-09% change) linmin: converged after 6 iterations. iteration 1317: trace = 2.412629753445835 (2.17306e-09% change) linmin: converged after 9 iterations. iteration 1318: trace = 2.412629753390819 (2.28035e-09% change) large trace change predicted (6.89292e-09%) linmin: converged after 12 iterations. iteration 1319: trace = 2.412629753224519 (6.89291e-09% change) linmin: converged after 24 iterations. iteration 1320: trace = 2.412629753099822 (5.16852e-09% change) linmin: converged after 15 iterations. iteration 1321: trace = 2.412629753058134 (1.72789e-09% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.412629752975014 (3.44519e-09% change) linmin: converged after 18 iterations. iteration 1323: trace = 2.41262975293754 (1.55326e-09% change) linmin: converged after 16 iterations. iteration 1324: trace = 2.41262975292436 (5.46279e-10% change) large trace change predicted (2.35618e-09%) linmin: converged after 23 iterations. iteration 1325: trace = 2.412629752867514 (2.35621e-09% change) linmin: converged after 8 iterations. iteration 1326: trace = 2.412629752848756 (7.77487e-10% change) linmin: converged after 7 iterations. iteration 1327: trace = 2.412629752826945 (9.04016e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629752800048 (1.11483e-09% change) linmin: converged after 6 iterations. iteration 1329: trace = 2.412629752795185 (2.01573e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629752790479 (1.95057e-10% change) large trace change predicted (9.55535e-10%) linmin: converged after 9 iterations. iteration 1331: trace = 2.412629752767428 (9.55445e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.412629752755273 (5.03814e-10% change) linmin: converged after 15 iterations. iteration 1333: trace = 2.412629752736632 (7.72609e-10% change) linmin: converged after 7 iterations. iteration 1334: trace = 2.412629752703226 (1.38466e-09% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.412629752678001 (1.04553e-09% change) linmin: converged after 7 iterations. iteration 1336: trace = 2.41262975265578 (9.21042e-10% change) large trace change predicted (3.37974e-09%) linmin: converged after 4 iterations. iteration 1337: trace = 2.41262975257424 (3.3797e-09% change) linmin: converged after 2 iterations. iteration 1338: trace = 2.412629752538839 (1.46732e-09% change) linmin: converged after 11 iterations. iteration 1339: trace = 2.412629752494285 (1.84672e-09% change) large trace change predicted (4.33282e-09%) linmin: converged after 9 iterations. iteration 1340: trace = 2.412629752389752 (4.33273e-09% change) linmin: converged after 12 iterations. iteration 1341: trace = 2.41262975227677 (4.68292e-09% change) linmin: converged after 10 iterations. iteration 1342: trace = 2.412629752216844 (2.48386e-09% change) linmin: converged after 21 iterations. iteration 1343: trace = 2.412629752136282 (3.33919e-09% change) linmin: converged after 9 iterations. iteration 1344: trace = 2.412629752115947 (8.42831e-10% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.412629752083479 (1.34574e-09% change) linmin: converged after 7 iterations. iteration 1346: trace = 2.412629752053459 (1.24428e-09% change) linmin: converged after 10 iterations. iteration 1347: trace = 2.412629752043635 (4.07196e-10% change) large trace change predicted (1.17762e-09%) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629752015224 (1.1776e-09% change) linmin: converged after 5 iterations. iteration 1349: trace = 2.41262975198604 (1.20966e-09% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.412629751981057 (2.06525e-10% change) large trace change predicted (7.71756e-10%) linmin: converged after 5 iterations. iteration 1351: trace = 2.412629751962437 (7.71781e-10% change) linmin: converged after 2 iterations. iteration 1352: trace = 2.412629751934784 (1.14618e-09% change) linmin: converged after 13 iterations. iteration 1353: trace = 2.412629751924951 (4.07565e-10% change) large trace change predicted (2.27047e-09%) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629751870173 (2.27045e-09% change) linmin: converged after 22 iterations. iteration 1355: trace = 2.41262975183336 (1.52585e-09% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629751817247 (6.67837e-10% change) linmin: converged after 7 iterations. iteration 1357: trace = 2.412629751788747 (1.18132e-09% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.412629751737714 (2.11522e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629751709765 (1.15844e-09% change) large trace change predicted (2.44778e-09%) linmin: converged after 5 iterations. iteration 1360: trace = 2.412629751650712 (2.44767e-09% change) large trace change predicted (6.15912e-09%) linmin: converged after 6 iterations. iteration 1361: trace = 2.412629751502116 (6.15908e-09% change) linmin: converged after 6 iterations. iteration 1362: trace = 2.412629751473994 (1.16563e-09% change) large trace change predicted (2.98533e-09%) linmin: converged after 6 iterations. iteration 1363: trace = 2.412629751401969 (2.98533e-09% change) linmin: converged after 23 iterations. iteration 1364: trace = 2.412629751273424 (5.32801e-09% change) linmin: converged after 5 iterations. iteration 1365: trace = 2.412629751242358 (1.28761e-09% change) large trace change predicted (3.23907e-09%) linmin: converged after 6 iterations. iteration 1366: trace = 2.412629751164213 (3.23904e-09% change) linmin: converged after 25 iterations. iteration 1367: trace = 2.412629751115151 (2.03352e-09% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.41262975109976 (6.37963e-10% change) linmin: converged after 13 iterations. iteration 1369: trace = 2.412629751074046 (1.06578e-09% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.412629751045275 (1.19254e-09% change) linmin: converged after 3 iterations. iteration 1371: trace = 2.412629751029682 (6.46301e-10% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.41262975101026 (8.05005e-10% change) linmin: converged after 17 iterations. iteration 1373: trace = 2.412629750975017 (1.46079e-09% change) linmin: converged after 13 iterations. iteration 1374: trace = 2.41262975096767 (3.04523e-10% change) large trace change predicted (6.34961e-10%) linmin: converged after 4 iterations. iteration 1375: trace = 2.41262975095235 (6.34981e-10% change) large trace change predicted (1.56294e-09%) linmin: converged after 4 iterations. iteration 1376: trace = 2.41262975091464 (1.56304e-09% change) linmin: converged after 13 iterations. iteration 1377: trace = 2.412629750907499 (2.95982e-10% change) large trace change predicted (2.51112e-09%) linmin: converged after 2 iterations. iteration 1378: trace = 2.412629750846915 (2.5111e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.412629750822372 (1.01727e-09% change) linmin: converged after 2 iterations. iteration 1380: trace = 2.412629750787525 (1.44437e-09% change) linmin: converged after 3 iterations. iteration 1381: trace = 2.412629750735961 (2.13724e-09% change) linmin: converged after 28 iterations. iteration 1382: trace = 2.412629750686041 (2.06911e-09% change) linmin: converged after 3 iterations. iteration 1383: trace = 2.412629750652544 (1.38839e-09% change) large trace change predicted (4.3807e-09%) linmin: converged after 25 iterations. iteration 1384: trace = 2.412629750546855 (4.38068e-09% change) linmin: converged after 7 iterations. iteration 1385: trace = 2.412629750387012 (6.62525e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.412629750366087 (8.67294e-10% change) large trace change predicted (4.27266e-09%) linmin: converged after 29 iterations. iteration 1387: trace = 2.412629750263004 (4.27265e-09% change) linmin: converged after 24 iterations. iteration 1388: trace = 2.412629750210093 (2.19308e-09% change) linmin: converged after 20 iterations. iteration 1389: trace = 2.412629750186037 (9.97081e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.412629750143495 (1.76332e-09% change) linmin: converged after 8 iterations. iteration 1391: trace = 2.412629750106079 (1.55081e-09% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.412629750095962 (4.19345e-10% change) large trace change predicted (1.1752e-09%) linmin: converged after 5 iterations. iteration 1393: trace = 2.412629750067611 (1.17513e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629750053986 (5.64704e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629750040806 (5.46297e-10% change) large trace change predicted (1.25483e-09%) linmin: converged after 6 iterations. iteration 1396: trace = 2.412629750010534 (1.25472e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.412629749969502 (1.70072e-09% change) linmin: converged after 10 iterations. iteration 1398: trace = 2.412629749905006 (2.67328e-09% change) large trace change predicted (3.49327e-08%) linmin: converged after 3 iterations. iteration 1399: trace = 2.412629749062203 (3.49329e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1400: trace = 2.412629748818978 (1.00813e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629748703175 (4.79984e-09% change) linmin: converged after 6 iterations. iteration 1402: trace = 2.412629748595444 (4.4653e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.412629748518818 (3.17603e-09% change) linmin: converged after 3 iterations. iteration 1404: trace = 2.412629748454176 (2.67934e-09% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.412629748435982 (7.54129e-10% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.41262974840364 (1.3405e-09% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.412629748368111 (1.47266e-09% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.412629748346367 (9.01236e-10% change) linmin: converged after 2 iterations. iteration 1409: trace = 2.412629748310911 (1.46958e-09% change) linmin: converged after 15 iterations. iteration 1410: trace = 2.412629748288369 (9.34332e-10% change) linmin: converged after 17 iterations. iteration 1411: trace = 2.412629748277399 (4.54704e-10% change) linmin: converged after 7 iterations. iteration 1412: trace = 2.412629748257625 (8.1962e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629748254446 (1.31756e-10% change) large trace change predicted (2.789e-10%) linmin: converged after 13 iterations. iteration 1414: trace = 2.412629748247716 (2.78956e-10% change) large trace change predicted (1.31621e-09%) linmin: converged after 2 iterations. iteration 1415: trace = 2.412629748215961 (1.3162e-09% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629748204464 (4.76535e-10% change) large trace change predicted (1.73027e-09%) linmin: converged after 18 iterations. iteration 1417: trace = 2.412629748162717 (1.73032e-09% change) linmin: converged after 23 iterations. iteration 1418: trace = 2.412629748134357 (1.17552e-09% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.412629748083245 (2.11848e-09% change) linmin: converged after 14 iterations. iteration 1420: trace = 2.412629748043848 (1.63296e-09% change) linmin: converged after 20 iterations. iteration 1421: trace = 2.412629747987947 (2.31704e-09% change) linmin: converged after 12 iterations. iteration 1422: trace = 2.412629747971979 (6.61837e-10% change) large trace change predicted (1.37482e-09%) linmin: converged after 15 iterations. iteration 1423: trace = 2.412629747938809 (1.37486e-09% change) linmin: converged after 21 iterations. iteration 1424: trace = 2.412629747920434 (7.61584e-10% change) linmin: converged after 3 iterations. iteration 1425: trace = 2.412629747900895 (8.09883e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629747895985 (2.03506e-10% change) large trace change predicted (7.66327e-10%) linmin: converged after 8 iterations. iteration 1427: trace = 2.412629747877495 (7.66388e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629747874149 (1.38696e-10% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629747870973 (1.31627e-10% change) large trace change predicted (4.546e-10%) linmin: converged after 4 iterations. iteration 1430: trace = 2.412629747860004 (4.54668e-10% change) linmin: converged after 9 iterations. iteration 1431: trace = 2.412629747848362 (4.82517e-10% change) linmin: converged after 3 iterations. iteration 1432: trace = 2.412629747843392 (2.06009e-10% change) large trace change predicted (7.64629e-10%) linmin: converged after 11 iterations. iteration 1433: trace = 2.412629747824942 (7.64713e-10% change) linmin: converged after 9 iterations. iteration 1434: trace = 2.412629747819464 (2.27067e-10% change) large trace change predicted (8.71153e-10%) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629747798447 (8.71123e-10% change) linmin: converged after 6 iterations. iteration 1436: trace = 2.412629747784376 (5.8324e-10% change) linmin: converged after 3 iterations. iteration 1437: trace = 2.412629747764643 (8.17909e-10% change) linmin: converged after 6 iterations. iteration 1438: trace = 2.412629747760028 (1.91247e-10% change) large trace change predicted (1.41585e-09%) linmin: converged after 5 iterations. iteration 1439: trace = 2.412629747725869 (1.41586e-09% change) linmin: converged after 7 iterations. iteration 1440: trace = 2.412629747707911 (7.44318e-10% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.412629747684258 (9.80404e-10% change) linmin: converged after 15 iterations. iteration 1442: trace = 2.412629747655675 (1.18474e-09% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.412629747617522 (1.58139e-09% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.412629747607043 (4.34328e-10% change) large trace change predicted (1.06005e-09%) linmin: converged after 15 iterations. iteration 1445: trace = 2.412629747581468 (1.06005e-09% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629747567704 (5.70484e-10% change) linmin: converged after 22 iterations. iteration 1447: trace = 2.412629747558015 (4.01601e-10% change) linmin: converged after 7 iterations. iteration 1448: trace = 2.412629747551829 (2.56389e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.412629747544262 (3.13634e-10% change) linmin: converged after 6 iterations. iteration 1450: trace = 2.412629747539715 (1.88468e-10% change) large trace change predicted (4.48538e-10%) linmin: converged after 2 iterations. iteration 1451: trace = 2.412629747528893 (4.48557e-10% change) linmin: converged after 4 iterations. iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) Finished solving for bands 1 to 10 after 1452 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: 10.988574981689453 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507714551633548 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.48527977029592 (0.89865% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301122559681 (0.483148% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539232112235 (0.0712618% change) large trace change predicted (0.219366%) linmin: converged after 3 iterations. iteration 5: trace = 2.466060133847849 (0.221934% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464718420203901 (0.054422% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463636719395522 (0.043897% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594065362243 (0.0423307% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462287934541995 (0.012432% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461753185618692 (0.0217199% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461485402974851 (0.0108783% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461341152138847 (0.00586049% change) large trace change predicted (0.012983%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021024881487 (0.0130071% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940680168531 (0.00326474% change) large trace change predicted (0.00700935%) linmin: converged after 4 iterations. iteration 15: trace = 2.460768388846517 (0.00700128% change) linmin: converged after 4 iterations. iteration 16: trace = 2.46065647507257 (0.00454802% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572010614669 (0.00343266% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460447819716967 (0.00504736% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460370644233083 (0.00313669% change) large trace change predicted (0.00795705%) linmin: converged after 3 iterations. iteration 20: trace = 2.46017460068774 (0.00796837% change) linmin: converged after 3 iterations. iteration 21: trace = 2.45992055593473 (0.0103268% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459713842813738 (0.0084036% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459366490491965 (0.0141227% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092658308015 (0.0111349% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458659817174203 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458376746196281 (0.0115139% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263627508388 (0.00460146% change) large trace change predicted (0.0113346%) linmin: converged after 4 iterations. iteration 28: trace = 2.457987269830834 (0.0112426% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457775312008254 (0.0086236% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457672500730186 (0.00418319% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457501693309859 (0.00695021% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457365668694102 (0.00553523% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457317190344751 (0.0019728% change) large trace change predicted (0.00496167%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195706844922 (0.00494387% change) linmin: converged after 4 iterations. iteration 35: trace = 2.45714422432063 (0.0020952% change) linmin: converged after 4 iterations. iteration 36: trace = 2.45708219454866 (0.0025245% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026720594834 (0.00225774% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456984567037049 (0.00171565% change) linmin: converged after 15 iterations. iteration 39: trace = 2.456939445048623 (0.0018365% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456869640059288 (0.00284118% change) linmin: converged after 3 iterations. iteration 41: trace = 2.456833157655992 (0.00148493% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456763705423465 (0.00282694% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456634692545203 (0.00525147% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456572871950935 (0.00251651% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461041145713 (0.00455241% change) large trace change predicted (0.00975498%) linmin: converged after 4 iterations. iteration 46: trace = 2.456218757351032 (0.00986361% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161867025414 (0.0023162% change) large trace change predicted (0.0100925%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911103666164 (0.0102101% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455767110949883 (0.00586328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455708319050391 (0.00239406% change) large trace change predicted (0.00907578%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484719350746 (0.00910572% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407549209439 (0.00314282% change) linmin: converged after 13 iterations. iteration 53: trace = 2.45534593290585 (0.00250944% change) large trace change predicted (0.0050887%) linmin: converged after 3 iterations. iteration 54: trace = 2.455220696591177 (0.00510069% change) linmin: converged after 4 iterations. iteration 55: trace = 2.455180284408074 (0.00164598% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132997929369 (0.00192601% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455083906425762 (0.00199957% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455066887770354 (0.000693203% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455040101706986 (0.00109106% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008609947706 (0.00128275% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454995317181518 (0.000541456% change) large trace change predicted (0.00171729%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953090393324 (0.00172005% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454877422579907 (0.0030823% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454855121962825 (0.000908425% change) large trace change predicted (0.00569416%) linmin: converged after 4 iterations. iteration 65: trace = 2.454715532943804 (0.0056864% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454625694251667 (0.00365991% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457607775767 (0.00202137% change) large trace change predicted (0.0062662%) linmin: converged after 4 iterations. iteration 68: trace = 2.454422750902177 (0.00624677% change) linmin: converged after 4 iterations. iteration 69: trace = 2.454354229883569 (0.00279178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327706739201 (0.00108066% change) linmin: converged after 5 iterations. iteration 71: trace = 2.454278091582933 (0.00202156% change) linmin: converged after 3 iterations. iteration 72: trace = 2.45424373064204 (0.00140005% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454222970770071 (0.00084588% change) linmin: converged after 4 iterations. iteration 74: trace = 2.454185533507981 (0.00152543% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454171305226925 (0.000579757% change) linmin: converged after 3 iterations. iteration 76: trace = 2.45415334717542 (0.000731739% change) linmin: converged after 3 iterations. iteration 77: trace = 2.45413605986308 (0.000704413% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128426043217 (0.00031106% change) linmin: converged after 3 iterations. iteration 79: trace = 2.454117302998195 (0.000453239% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454101532760824 (0.000642605% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096037606968 (0.000223917% change) large trace change predicted (0.000569323%) linmin: converged after 3 iterations. iteration 82: trace = 2.454082067399763 (0.000569262% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062987198802 (0.000777491% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454051739425085 (0.000458334% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031604529348 (0.000820479% change) linmin: converged after 17 iterations. iteration 86: trace = 2.454004746007284 (0.00109447% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991995852274 (0.000519567% change) large trace change predicted (0.00138546%) linmin: converged after 4 iterations. iteration 88: trace = 2.453958007958718 (0.00138501% change) linmin: converged after 7 iterations. iteration 89: trace = 2.453919475118923 (0.00157024% change) linmin: converged after 4 iterations. iteration 90: trace = 2.45389509654625 (0.000993459% change) linmin: converged after 5 iterations. iteration 91: trace = 2.453860912196914 (0.00139307% change) linmin: converged after 8 iterations. iteration 92: trace = 2.453828045147867 (0.00133941% change) linmin: converged after 3 iterations. iteration 93: trace = 2.45382085605784 (0.000292975% change) large trace change predicted (0.00127944%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789463063369 (0.00127936% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782532229236 (0.000282455% change) large trace change predicted (0.000822373%) linmin: converged after 4 iterations. iteration 96: trace = 2.453762367988812 (0.000821765% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746815140803 (0.000633839% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453734287686709 (0.000510545% change) linmin: converged after 13 iterations. iteration 99: trace = 2.453728236162154 (0.000246625% change) large trace change predicted (0.000526958%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715304161855 (0.000527036% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453709000793436 (0.000256891% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701670772158 (0.000298733% change) large trace change predicted (0.000652204%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685674496181 (0.000651926% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674834695103 (0.000441777% change) large trace change predicted (0.000946993%) linmin: converged after 4 iterations. iteration 105: trace = 2.453651609675684 (0.000946545% change) large trace change predicted (0.00211292%) linmin: converged after 3 iterations. iteration 106: trace = 2.45359960969257 (0.00211931% change) linmin: converged after 5 iterations. iteration 107: trace = 2.45358312717749 (0.000671771% change) large trace change predicted (0.00179328%) linmin: converged after 3 iterations. iteration 108: trace = 2.453538953603838 (0.00180039% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478212583598 (0.00247568% change) linmin: converged after 3 iterations. iteration 110: trace = 2.453465057397219 (0.000536187% change) large trace change predicted (0.00221868%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410536309189 (0.00222223% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453386131071423 (0.000994752% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376698178058 (0.000384485% change) large trace change predicted (0.00113233%) linmin: converged after 3 iterations. iteration 114: trace = 2.453348916706636 (0.00113238% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338668721301 (0.000417715% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332850971714 (0.00041409% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315900344541 (0.000513971% change) linmin: converged after 5 iterations. iteration 118: trace = 2.453302028512225 (0.000565434% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296318097463 (0.000232765% change) large trace change predicted (0.000597339%) linmin: converged after 3 iterations. iteration 120: trace = 2.453281660805391 (0.000597455% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275733121448 (0.000241623% change) linmin: converged after 3 iterations. iteration 122: trace = 2.453264048572746 (0.000476285% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247330884551 (0.000681449% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453237120368956 (0.000416205% change) large trace change predicted (0.00104381%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211463999542 (0.00104582% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453162178756833 (0.00200903% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453138441524889 (0.000967622% change) large trace change predicted (0.00310521%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061970998888 (0.0031173% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970240929354 (0.00373948% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952080637691 (0.000740342% change) linmin: converged after 4 iterations. iteration 131: trace = 2.452919428590261 (0.00133114% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289691913365 (0.000917664% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890157235454 (0.00027567% change) large trace change predicted (0.00125961%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859246188432 (0.0012602% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842821226226 (0.000669627% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452828921086942 (0.000566697% change) linmin: converged after 6 iterations. iteration 137: trace = 2.452814395156807 (0.000592213% change) linmin: converged after 11 iterations. iteration 138: trace = 2.452798068000915 (0.000665652% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783009252627 (0.000613944% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.452772927790512 (0.000411022% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765649094527 (0.000296754% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757495527033 (0.000332424% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452750554577612 (0.000282986% change) linmin: converged after 5 iterations. iteration 144: trace = 2.452740327764536 (0.000416954% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727668231187 (0.00051614% change) linmin: converged after 6 iterations. iteration 146: trace = 2.452721604178562 (0.000247237% change) large trace change predicted (0.000693753%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704589129357 (0.000693724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452684248854568 (0.000829303% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267614319453 (0.000330482% change) large trace change predicted (0.000964309%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652549290144 (0.00096197% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626803415319 (0.00104972% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452616705048951 (0.000411738% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596980902835 (0.000804211% change) linmin: converged after 9 iterations. iteration 154: trace = 2.452583108816331 (0.00056561% change) linmin: converged after 20 iterations. iteration 155: trace = 2.452578304129146 (0.000195903% change) linmin: converged after 4 iterations. iteration 156: trace = 2.45256876674269 (0.000388873% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452560262649758 (0.000346743% change) linmin: converged after 3 iterations. iteration 158: trace = 2.452558275638176 (8.10179e-05% change) large trace change predicted (0.000299932%) linmin: converged after 3 iterations. iteration 159: trace = 2.452550921985148 (0.000299836% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546610102247 (0.000175812% change) linmin: converged after 4 iterations. iteration 161: trace = 2.452544820292672 (7.29776e-05% change) large trace change predicted (0.000200659%) linmin: converged after 3 iterations. iteration 162: trace = 2.452539898709751 (0.000200673% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452536610230977 (0.000134085% change) linmin: converged after 3 iterations. iteration 164: trace = 2.452531722835503 (0.000199279% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526119860102 (0.000228457% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452518763737087 (0.000299941% change) linmin: converged after 7 iterations. iteration 167: trace = 2.452513062704793 (0.000232456% change) large trace change predicted (0.000772359%) linmin: converged after 3 iterations. iteration 168: trace = 2.452494092222757 (0.000773515% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452489305340419 (0.000195184% change) large trace change predicted (0.000667115%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472924104565 (0.000667945% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452456769929521 (0.000658691% change) linmin: converged after 3 iterations. iteration 172: trace = 2.45245074264355 (0.000245766% change) large trace change predicted (0.00062741%) linmin: converged after 3 iterations. iteration 173: trace = 2.452435341557268 (0.00062799% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422726674879 (0.000514383% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452419119529659 (0.000147085% change) large trace change predicted (0.000389908%) linmin: converged after 5 iterations. iteration 176: trace = 2.452409555498929 (0.000389984% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400310371281 (0.000376982% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397904127026 (9.8118e-05% change) large trace change predicted (0.000258068%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391574551021 (0.000258098% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387378243408 (0.000171111% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452386157536499 (4.97763e-05% change) large trace change predicted (0.000181182%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381714103697 (0.000181188% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452377832663401 (0.000158272% change) linmin: converged after 2 iterations. iteration 184: trace = 2.452376974923948 (3.49758e-05% change) large trace change predicted (0.000153338%) linmin: converged after 3 iterations. iteration 185: trace = 2.452373214647471 (0.000153332% change) linmin: converged after 12 iterations. iteration 186: trace = 2.452368906581191 (0.000175669% change) linmin: converged after 5 iterations. iteration 187: trace = 2.452367047636557 (7.5802e-05% change) large trace change predicted (0.000415294%) linmin: converged after 4 iterations. iteration 188: trace = 2.452356864268545 (0.000415247% change) linmin: converged after 5 iterations. iteration 189: trace = 2.452348944393626 (0.00032295% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452345788864918 (0.000128674% change) large trace change predicted (0.000553043%) linmin: converged after 6 iterations. iteration 191: trace = 2.45233223540891 (0.000552675% change) linmin: converged after 3 iterations. iteration 192: trace = 2.452324837424832 (0.000301672% change) linmin: converged after 3 iterations. iteration 193: trace = 2.452318319053605 (0.000265804% change) linmin: converged after 3 iterations. iteration 194: trace = 2.45231070137328 (0.000310632% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452305458110806 (0.000213809% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300587509159 (0.000198613% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452294091542742 (0.000264893% change) linmin: converged after 4 iterations. iteration 198: trace = 2.452292912070035 (4.80967e-05% change) large trace change predicted (0.000207507%) linmin: converged after 3 iterations. iteration 199: trace = 2.452287823960394 (0.000207484% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285260995919 (0.000104513% change) linmin: converged after 4 iterations. iteration 201: trace = 2.4522837884962 (6.0046e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.452281464401078 (9.47727e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.45227843727108 (0.000123441% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452277298708132 (4.64288e-05% change) large trace change predicted (0.000105064%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274721714739 (0.000105086% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269795239167 (0.000200894% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452267937130898 (7.5771e-05% change) large trace change predicted (0.000293161%) linmin: converged after 3 iterations. iteration 208: trace = 2.45226074358603 (0.000293343% change) linmin: converged after 3 iterations. iteration 209: trace = 2.452249802005526 (0.000446184% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452245457700151 (0.000177156% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452238289401174 (0.000292316% change) linmin: converged after 4 iterations. iteration 212: trace = 2.452234390465577 (0.000158995% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452232924507626 (5.97805e-05% change) large trace change predicted (0.000175069%) linmin: converged after 4 iterations. iteration 214: trace = 2.45222863148775 (0.000175066% change) linmin: converged after 5 iterations. iteration 215: trace = 2.452226721219942 (7.78993e-05% change) linmin: converged after 4 iterations. iteration 216: trace = 2.45222534804256 (5.59972e-05% change) linmin: converged after 9 iterations. iteration 217: trace = 2.452222868519007 (0.000101113% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452220762859493 (8.58674e-05% change) linmin: converged after 7 iterations. iteration 219: trace = 2.452219636720598 (4.59232e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452217637205398 (8.1539e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452214951097599 (0.000109538% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452213930282483 (4.16283e-05% change) large trace change predicted (0.000173197%) linmin: converged after 3 iterations. iteration 223: trace = 2.452209680537733 (0.000173303% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452207756844769 (7.84474e-05% change) large trace change predicted (0.000170329%) linmin: converged after 4 iterations. iteration 225: trace = 2.452203577183352 (0.000170445% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452199205407226 (0.00017828% change) linmin: converged after 14 iterations. iteration 227: trace = 2.452195167792297 (0.000164653% change) linmin: converged after 3 iterations. iteration 228: trace = 2.45219226877402 (0.000118221% change) large trace change predicted (0.000333656%) linmin: converged after 5 iterations. iteration 229: trace = 2.452184081873663 (0.000333861% change) linmin: converged after 4 iterations. iteration 230: trace = 2.452181174446548 (0.000118565% change) linmin: converged after 3 iterations. iteration 231: trace = 2.45217666841967 (0.000183756% change) linmin: converged after 13 iterations. iteration 232: trace = 2.452169564390597 (0.000289703% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452168023595653 (6.2834e-05% change) large trace change predicted (0.000128892%) linmin: converged after 3 iterations. iteration 234: trace = 2.452164861203628 (0.000128963% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452162710524145 (8.77054e-05% change) linmin: converged after 13 iterations. iteration 236: trace = 2.452161604180763 (4.51171e-05% change) large trace change predicted (9.08194e-05%) linmin: converged after 3 iterations. iteration 237: trace = 2.452159376422024 (9.08488e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452156221407155 (0.000128663% change) linmin: converged after 4 iterations. iteration 239: trace = 2.452155384533807 (3.41281e-05% change) large trace change predicted (9.34824e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.452153091713957 (9.35023e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.452150426821385 (0.000108676% change) linmin: converged after 3 iterations. iteration 242: trace = 2.452149526342722 (3.6722e-05% change) large trace change predicted (0.000149021%) linmin: converged after 3 iterations. iteration 243: trace = 2.452145872560898 (0.000149003% change) linmin: converged after 5 iterations. iteration 244: trace = 2.45214298620249 (0.000117708% change) linmin: converged after 4 iterations. iteration 245: trace = 2.452141482734362 (6.13124e-05% change) large trace change predicted (0.00022647%) linmin: converged after 5 iterations. iteration 246: trace = 2.452135931910722 (0.000226367% change) linmin: converged after 4 iterations. iteration 247: trace = 2.452127131915843 (0.000358871% change) linmin: converged after 3 iterations. iteration 248: trace = 2.452124408591246 (0.00011106% change) large trace change predicted (0.000415328%) linmin: converged after 6 iterations. iteration 249: trace = 2.452114234002913 (0.00041493% change) linmin: converged after 3 iterations. iteration 250: trace = 2.452107914802179 (0.000257705% change) linmin: converged after 6 iterations. iteration 251: trace = 2.452104602178825 (0.000135093% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452098395005796 (0.000253137% change) linmin: converged after 3 iterations. iteration 253: trace = 2.45209443064365 (0.000161672% change) linmin: converged after 3 iterations. iteration 254: trace = 2.452092772278772 (6.76306e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.452090136890444 (0.000107475% change) linmin: converged after 3 iterations. iteration 256: trace = 2.452088641061405 (6.10022e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.452087588706631 (4.29167e-05% change) large trace change predicted (8.8259e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.452085424452013 (8.82618e-05% change) linmin: converged after 10 iterations. iteration 259: trace = 2.452084439140825 (4.01826e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.452083425783212 (4.13264e-05% change) large trace change predicted (0.000113263%) linmin: converged after 3 iterations. iteration 261: trace = 2.452080648183233 (0.000113275% change) linmin: converged after 3 iterations. iteration 262: trace = 2.4520794724905 (4.79468e-05% change) large trace change predicted (0.000152164%) linmin: converged after 3 iterations. iteration 263: trace = 2.452075740472779 (0.000152198% change) linmin: converged after 4 iterations. iteration 264: trace = 2.45207119873577 (0.00018522% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452068341076811 (0.000116541% change) linmin: converged after 4 iterations. iteration 266: trace = 2.452065201190418 (0.000128051% change) large trace change predicted (0.00034389%) linmin: converged after 3 iterations. iteration 267: trace = 2.452056759774224 (0.000344258% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452053194509233 (0.000145399% change) linmin: converged after 4 iterations. iteration 269: trace = 2.452047723607067 (0.000223115% change) linmin: converged after 5 iterations. iteration 270: trace = 2.452038853922894 (0.000361726% change) linmin: converged after 13 iterations. iteration 271: trace = 2.4520373990617 (5.93327e-05% change) large trace change predicted (0.000248269%) linmin: converged after 3 iterations. iteration 272: trace = 2.452031304744767 (0.000248541% change) linmin: converged after 4 iterations. iteration 273: trace = 2.452027971885439 (0.000135922% change) linmin: converged after 3 iterations. iteration 274: trace = 2.45202680788906 (4.74708e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452024540324916 (9.24772e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.45202209499959 (9.97268e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452021538766743 (2.26847e-05% change) large trace change predicted (0.000116655%) linmin: converged after 4 iterations. iteration 278: trace = 2.452018677919659 (0.000116673% change) linmin: converged after 3 iterations. iteration 279: trace = 2.452014190357183 (0.000183015% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.45201075481463 (0.000140111% change) linmin: converged after 2 iterations. iteration 281: trace = 2.452008901592415 (7.55797e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452007292555813 (6.56212e-05% change) linmin: converged after 5 iterations. iteration 283: trace = 2.452006558444449 (2.99392e-05% change) large trace change predicted (9.44662e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.452004242936367 (9.44332e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.452003286760036 (3.89957e-05% change) large trace change predicted (7.91395e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452001347150246 (7.91031e-05% change) large trace change predicted (0.000166942%) linmin: converged after 4 iterations. iteration 287: trace = 2.451997258366128 (0.000166753% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995532160505 (7.04e-05% change) large trace change predicted (0.000147482%) linmin: converged after 4 iterations. iteration 289: trace = 2.451991921852341 (0.00014724% change) linmin: converged after 3 iterations. iteration 290: trace = 2.451986673104741 (0.000214061% change) linmin: converged after 27 iterations. iteration 291: trace = 2.451984254947535 (9.86204e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.4519805314833 (0.000151855% change) linmin: converged after 4 iterations. iteration 293: trace = 2.45197502893073 (0.000224413% change) linmin: converged after 4 iterations. iteration 294: trace = 2.451974197928204 (3.38912e-05% change) large trace change predicted (0.000134969%) linmin: converged after 3 iterations. iteration 295: trace = 2.451970890075463 (0.000134906% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451969462637186 (5.8216e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451968793048388 (2.73082e-05% change) large trace change predicted (7.04748e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.451967065141929 (7.04702e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451965799783021 (5.16059e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.451965354926958 (1.81428e-05% change) large trace change predicted (4.14451e-05%) linmin: converged after 4 iterations. iteration 301: trace = 2.451964338537992 (4.1452e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.451963626062085 (2.90574e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.45196286090635 (3.12058e-05% change) large trace change predicted (7.04866e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451961132076766 (7.0508e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451960060694344 (4.36949e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.45195929368572 (3.12815e-05% change) large trace change predicted (0.000111025%) linmin: converged after 3 iterations. iteration 307: trace = 2.451956570051481 (0.00011108% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953818305342 (0.000112227% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451951653626621 (8.82839e-05% change) large trace change predicted (0.000184665%) linmin: converged after 4 iterations. iteration 310: trace = 2.451947121582508 (0.000184834% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945166011394 (7.97559e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451942435218912 (0.000111373% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939405208457 (0.000123576% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938634410761 (3.14363e-05% change) large trace change predicted (7.13993e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936883520887 (7.14084e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935333125655 (6.32315e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934772183667 (2.28775e-05% change) large trace change predicted (5.68182e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.45193337891416 (5.68233e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.451932197398721 (4.81871e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.451931697025995 (2.04073e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451931013561718 (2.78745e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451930073490786 (3.834e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.4519298008317 (1.11202e-05% change) large trace change predicted (4.21488e-05%) linmin: converged after 3 iterations. iteration 324: trace = 2.451928767419563 (4.21469e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.451927902052323 (3.52933e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451927460932055 (1.79908e-05% change) large trace change predicted (5.36764e-05%) linmin: converged after 4 iterations. iteration 327: trace = 2.451926145023389 (5.36684e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924454118065 (6.89624e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.45192343736788 (4.14674e-05% change) large trace change predicted (8.71433e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.45192130196901 (8.70908e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.451918670153966 (0.000107337% change) linmin: converged after 4 iterations. iteration 332: trace = 2.45191779130337 (3.58434e-05% change) large trace change predicted (9.23841e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915526678028 (9.23614e-05% change) linmin: converged after 3 iterations. iteration 334: trace = 2.451914426183707 (4.48831e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451913409272041 (4.14742e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.451912256784357 (4.70036e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451911186131378 (4.3666e-05% change) linmin: converged after 2 iterations. iteration 338: trace = 2.451910850466922 (1.36899e-05% change) large trace change predicted (3.93869e-05%) linmin: converged after 4 iterations. iteration 339: trace = 2.451909884741904 (3.93866e-05% change) linmin: converged after 3 iterations. iteration 340: trace = 2.45190963707967 (1.01008e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.451909148391919 (1.99309e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.45190827063069 (3.57991e-05% change) linmin: converged after 7 iterations. iteration 343: trace = 2.451908059504865 (8.61067e-06% change) large trace change predicted (2.6893e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907399998265 (2.68977e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906785418745 (2.50654e-05% change) linmin: converged after 2 iterations. iteration 346: trace = 2.451906437789964 (1.41779e-05% change) large trace change predicted (5.58343e-05%) linmin: converged after 3 iterations. iteration 347: trace = 2.451905068455477 (5.58478e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903121715061 (7.93971e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902337095938 (3.20004e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901626083527 (2.89984e-05% change) large trace change predicted (6.42866e-05%) linmin: converged after 3 iterations. iteration 351: trace = 2.451900049769866 (6.42895e-05% change) linmin: converged after 2 iterations. iteration 352: trace = 2.451899136573584 (3.72444e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.451898736850383 (1.63026e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.451897946694063 (3.22263e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.45189747184642 (1.93665e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451897220646099 (1.02451e-05% change) large trace change predicted (2.44861e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896620201119 (2.4489e-05% change) linmin: converged after 3 iterations. iteration 358: trace = 2.451896058080836 (2.29259e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.451895837264319 (9.00595e-06% change) large trace change predicted (2.84087e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.451895140561287 (2.84149e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.45189474102638 (1.62949e-05% change) linmin: converged after 2 iterations. iteration 362: trace = 2.451894419082622 (1.31304e-05% change) large trace change predicted (3.94816e-05%) linmin: converged after 5 iterations. iteration 363: trace = 2.451893450703638 (3.94951e-05% change) linmin: converged after 4 iterations. iteration 364: trace = 2.451892570126811 (3.59142e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.45189181747914 (3.06966e-05% change) large trace change predicted (6.43709e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890238485002 (6.4399e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889616372384 (2.53728e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.45188877755701 (3.4211e-05% change) large trace change predicted (8.5513e-05%) linmin: converged after 4 iterations. iteration 369: trace = 2.451886679515175 (8.55684e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885786404943 (3.64254e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451884655995135 (4.61037e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451883546120951 (4.52662e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.451883232411078 (1.27946e-05% change) large trace change predicted (3.61962e-05%) linmin: converged after 4 iterations. iteration 374: trace = 2.451882344780096 (3.6202e-05% change) linmin: converged after 2 iterations. iteration 375: trace = 2.451881779695219 (2.3047e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881401859591 (1.541e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881173998864 (9.2933e-06% change) large trace change predicted (3.17815e-05%) linmin: converged after 5 iterations. iteration 378: trace = 2.451880394664437 (3.17852e-05% change) linmin: converged after 2 iterations. iteration 379: trace = 2.45187989190943 (2.05049e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451879518512381 (1.5229e-05% change) linmin: converged after 3 iterations. iteration 381: trace = 2.45187880705943 (2.90166e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878318476758 (1.99269e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877773854073 (2.22125e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.451876824144952 (3.8734e-05% change) linmin: converged after 3 iterations. iteration 385: trace = 2.451876293493401 (2.16427e-05% change) linmin: converged after 8 iterations. iteration 386: trace = 2.451875369938492 (3.76673e-05% change) large trace change predicted (7.75821e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.451873468799276 (7.75382e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451872590224089 (3.58328e-05% change) large trace change predicted (9.50571e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.4518702615096 (9.4977e-05% change) linmin: converged after 5 iterations. iteration 390: trace = 2.451868461088069 (7.34306e-05% change) linmin: converged after 5 iterations. iteration 391: trace = 2.451867700627981 (3.10155e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866708220177 (4.04756e-05% change) linmin: converged after 3 iterations. iteration 393: trace = 2.451865652586429 (4.30543e-05% change) linmin: converged after 2 iterations. iteration 394: trace = 2.451865445386099 (8.45072e-06% change) large trace change predicted (2.50549e-05%) linmin: converged after 3 iterations. iteration 395: trace = 2.451864831127395 (2.50527e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864349760831 (1.96327e-05% change) linmin: converged after 26 iterations. iteration 397: trace = 2.451864235719919 (4.65119e-06% change) large trace change predicted (2.47964e-05%) linmin: converged after 4 iterations. iteration 398: trace = 2.451863627785021 (2.47948e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863327607461 (1.22428e-05% change) linmin: converged after 3 iterations. iteration 400: trace = 2.451862913876871 (1.68741e-05% change) linmin: converged after 4 iterations. iteration 401: trace = 2.451862423737383 (1.99905e-05% change) linmin: converged after 4 iterations. iteration 402: trace = 2.451862008156571 (1.69496e-05% change) linmin: converged after 3 iterations. iteration 403: trace = 2.451861297761305 (2.89737e-05% change) large trace change predicted (6.03586e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451859816778514 (6.04024e-05% change) linmin: converged after 5 iterations. iteration 405: trace = 2.451858559069839 (5.12961e-05% change) linmin: converged after 3 iterations. iteration 406: trace = 2.451857891199748 (2.72393e-05% change) large trace change predicted (6.38229e-05%) linmin: converged after 3 iterations. iteration 407: trace = 2.45185632544231 (6.38601e-05% change) linmin: converged after 4 iterations. iteration 408: trace = 2.451854711796361 (6.58133e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.45185402817143 (2.7882e-05% change) large trace change predicted (6.46259e-05%) linmin: converged after 3 iterations. iteration 410: trace = 2.451852442859669 (6.46577e-05% change) linmin: converged after 4 iterations. iteration 411: trace = 2.451851775392176 (2.7223e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451851127465782 (2.6426e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451850087175804 (4.24288e-05% change) linmin: converged after 9 iterations. iteration 414: trace = 2.451849911033916 (7.18404e-06% change) large trace change predicted (2.51613e-05%) linmin: converged after 4 iterations. iteration 415: trace = 2.451849293949703 (2.51681e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.451848943707893 (1.42848e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.451848710098085 (9.5279e-06% change) large trace change predicted (2.10239e-05%) linmin: converged after 3 iterations. iteration 418: trace = 2.45184819456945 (2.10261e-05% change) large trace change predicted (0.000188518%) linmin: converged after 3 iterations. iteration 419: trace = 2.451843571620683 (0.00018855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451841487273947 (8.50114e-05% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451839976121697 (6.16334e-05% change) linmin: converged after 3 iterations. iteration 422: trace = 2.451839314114376 (2.70004e-05% change) linmin: converged after 4 iterations. iteration 423: trace = 2.451839054914111 (1.05717e-05% change) linmin: converged after 3 iterations. iteration 424: trace = 2.451838742425517 (1.27451e-05% change) linmin: converged after 7 iterations. iteration 425: trace = 2.451838400153158 (1.39598e-05% change) linmin: converged after 3 iterations. iteration 426: trace = 2.451838201057432 (8.12026e-06% change) large trace change predicted (2.04897e-05%) linmin: converged after 3 iterations. iteration 427: trace = 2.451837698796881 (2.04851e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.451837481919144 (8.84552e-06% change) large trace change predicted (3.05073e-05%) linmin: converged after 4 iterations. iteration 429: trace = 2.451836734163764 (3.04978e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451835936235739 (3.25441e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451835185942234 (3.06013e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451834525078679 (2.69538e-05% change) large trace change predicted (5.9575e-05%) linmin: converged after 3 iterations. iteration 433: trace = 2.451833065357541 (5.95359e-05% change) linmin: converged after 8 iterations. iteration 434: trace = 2.451832734050241 (1.35126e-05% change) linmin: converged after 3 iterations. iteration 435: trace = 2.451832149791729 (2.38295e-05% change) linmin: converged after 4 iterations. iteration 436: trace = 2.451831313054189 (3.4127e-05% change) linmin: converged after 3 iterations. iteration 437: trace = 2.451831144753733 (6.86428e-06% change) large trace change predicted (1.89495e-05%) linmin: converged after 4 iterations. iteration 438: trace = 2.451830680221672 (1.89463e-05% change) linmin: converged after 3 iterations. iteration 439: trace = 2.451830279374053 (1.63489e-05% change) linmin: converged after 4 iterations. iteration 440: trace = 2.451829954213735 (1.32619e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451829747917543 (8.41397e-06% change) linmin: converged after 8 iterations. iteration 442: trace = 2.45182942913199 (1.30019e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451829344579854 (3.44853e-06% change) large trace change predicted (1.20307e-05%) linmin: converged after 6 iterations. iteration 444: trace = 2.451829049585355 (1.20316e-05% change) linmin: converged after 4 iterations. iteration 445: trace = 2.45182882275353 (9.25154e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.451828710478946 (4.57922e-06% change) large trace change predicted (1.8046e-05%) linmin: converged after 4 iterations. iteration 447: trace = 2.451828267951997 (1.80489e-05% change) linmin: converged after 4 iterations. iteration 448: trace = 2.451827859086309 (1.6676e-05% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451827704537776 (6.3034e-06% change) large trace change predicted (2.59966e-05%) linmin: converged after 4 iterations. iteration 450: trace = 2.451827067038046 (2.6001e-05% change) linmin: converged after 4 iterations. iteration 451: trace = 2.451826123510454 (3.84826e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451825857654383 (1.08432e-05% change) large trace change predicted (4.34736e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.45182479109769 (4.35005e-05% change) linmin: converged after 4 iterations. iteration 454: trace = 2.45182429282768 (2.03224e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451824028134613 (1.07958e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451823712849073 (1.28592e-05% change) linmin: converged after 4 iterations. iteration 457: trace = 2.451823254502712 (1.86941e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451823062649151 (7.82493e-06% change) large trace change predicted (1.64623e-05%) linmin: converged after 3 iterations. iteration 459: trace = 2.451822658887967 (1.64678e-05% change) linmin: converged after 2 iterations. iteration 460: trace = 2.451822526439577 (5.40204e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.451822336459144 (7.74854e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451822084284924 (1.02852e-05% change) linmin: converged after 3 iterations. iteration 463: trace = 2.451822011646269 (2.96264e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.451821904237058 (4.38079e-06% change) linmin: converged after 2 iterations. iteration 465: trace = 2.451821699544684 (8.34858e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451821547178686 (6.2144e-06% change) linmin: converged after 6 iterations. iteration 467: trace = 2.451821376475728 (6.96229e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.451821040671764 (1.36961e-05% change) linmin: converged after 3 iterations. iteration 469: trace = 2.45182080693343 (9.53325e-06% change) linmin: converged after 4 iterations. iteration 470: trace = 2.4518205215002 (1.16417e-05% change) large trace change predicted (2.63546e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.45181987548071 (2.63486e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451819408860605 (1.90316e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451819126855167 (1.15019e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451818658754745 (1.9092e-05% change) linmin: converged after 5 iterations. iteration 475: trace = 2.451818394563479 (1.07753e-05% change) linmin: converged after 18 iterations. iteration 476: trace = 2.451818116179429 (1.13542e-05% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451817781654802 (1.36439e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451817681110296 (4.10081e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451817552578524 (5.24231e-06% change) linmin: converged after 19 iterations. iteration 480: trace = 2.451817332535152 (8.9747e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451817297043988 (1.44755e-06% change) large trace change predicted (8.02481e-06%) linmin: converged after 2 iterations. iteration 482: trace = 2.451817100288909 (8.02487e-06% change) linmin: converged after 7 iterations. iteration 483: trace = 2.451816974162871 (5.14419e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.451816925474987 (1.98579e-06% change) large trace change predicted (5.20292e-06%) linmin: converged after 2 iterations. iteration 485: trace = 2.45181679790735 (5.20298e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.451816582759446 (8.77504e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.451816497251044 (3.48755e-06% change) large trace change predicted (9.35672e-06%) linmin: converged after 18 iterations. iteration 488: trace = 2.451816267845393 (9.35656e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.451815875725539 (1.5993e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.451815757819901 (4.80891e-06% change) large trace change predicted (1.10512e-05%) linmin: converged after 2 iterations. iteration 491: trace = 2.451815486861406 (1.10513e-05% change) linmin: converged after 3 iterations. iteration 492: trace = 2.451815280756068 (8.40623e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.451815194923169 (3.50079e-06% change) large trace change predicted (7.35121e-06%) linmin: converged after 7 iterations. iteration 494: trace = 2.451815014697793 (7.35069e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451814894361656 (4.90804e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451814850871355 (1.7738e-06% change) large trace change predicted (4.50328e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.45181474045643 (4.5034e-06% change) linmin: converged after 2 iterations. iteration 498: trace = 2.451814610526366 (5.29934e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.451814567841736 (1.74094e-06% change) large trace change predicted (6.83787e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.451814400186214 (6.83802e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.451814272915252 (5.19089e-06% change) linmin: converged after 2 iterations. iteration 502: trace = 2.45181419266202 (3.27322e-06% change) large trace change predicted (8.56711e-06%) linmin: converged after 24 iterations. iteration 503: trace = 2.45181398260356 (8.56747e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.451813704811319 (1.13301e-05% change) linmin: converged after 4 iterations. iteration 505: trace = 2.451813596654659 (4.41129e-06% change) large trace change predicted (1.8288e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451813148189388 (1.82912e-05% change) linmin: converged after 22 iterations. iteration 507: trace = 2.451812965690427 (7.44343e-06% change) linmin: converged after 2 iterations. iteration 508: trace = 2.451812761950807 (8.30975e-06% change) large trace change predicted (2.09791e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451812247462067 (2.0984e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451811966755929 (1.14489e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.451811851242338 (4.71136e-06% change) large trace change predicted (1.00995e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451811603602493 (1.01003e-05% change) linmin: converged after 5 iterations. iteration 513: trace = 2.451811507357846 (3.92545e-06% change) linmin: converged after 20 iterations. iteration 514: trace = 2.451811334433819 (7.05291e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.451811191640094 (5.82401e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.451811130732174 (2.4842e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451811047301646 (3.40281e-06% change) linmin: converged after 2 iterations. iteration 518: trace = 2.451810891815008 (6.34171e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.451810816631979 (3.06643e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451810695082755 (4.95753e-06% change) linmin: converged after 3 iterations. iteration 521: trace = 2.45181049319669 (8.23416e-06% change) linmin: converged after 3 iterations. iteration 522: trace = 2.451810268505231 (9.16431e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.45181019367532 (3.05203e-06% change) large trace change predicted (8.52331e-06%) linmin: converged after 3 iterations. iteration 524: trace = 2.451809984726808 (8.52221e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.451809780364004 (8.33518e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.451809671650246 (4.43402e-06% change) large trace change predicted (2.12798e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451809150137006 (2.12705e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.45180874197214 (1.66475e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451808417499351 (1.3234e-05% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451808030250102 (1.57944e-05% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451807807831868 (9.0716e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451807742759107 (2.65407e-06% change) large trace change predicted (9.27794e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.451807515300582 (9.27718e-06% change) linmin: converged after 6 iterations. iteration 534: trace = 2.451807415467064 (4.07183e-06% change) linmin: converged after 5 iterations. iteration 535: trace = 2.451807346960127 (2.79414e-06% change) large trace change predicted (5.71938e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451807206736129 (5.71921e-06% change) linmin: converged after 12 iterations. iteration 537: trace = 2.451807086805041 (4.89154e-06% change) linmin: converged after 8 iterations. iteration 538: trace = 2.451807031148672 (2.27001e-06% change) large trace change predicted (7.12219e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.451806856509571 (7.12287e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451806796843032 (2.43357e-06% change) large trace change predicted (6.7709e-06%) linmin: converged after 4 iterations. iteration 541: trace = 2.451806630809242 (6.7719e-06% change) linmin: converged after 5 iterations. iteration 542: trace = 2.451806452505993 (7.27232e-06% change) linmin: converged after 16 iterations. iteration 543: trace = 2.451806368758432 (3.41575e-06% change) large trace change predicted (1.23699e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451806065324214 (1.23759e-05% change) linmin: converged after 3 iterations. iteration 545: trace = 2.451805739861479 (1.32744e-05% change) linmin: converged after 5 iterations. iteration 546: trace = 2.451805601881059 (5.62771e-06% change) large trace change predicted (1.68905e-05%) linmin: converged after 3 iterations. iteration 547: trace = 2.451805187663824 (1.68944e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451804745230315 (1.80452e-05% change) linmin: converged after 3 iterations. iteration 549: trace = 2.451804599592704 (5.94002e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451804373046908 (9.23996e-06% change) linmin: converged after 3 iterations. iteration 551: trace = 2.451804158093567 (8.76715e-06% change) linmin: converged after 2 iterations. iteration 552: trace = 2.451804068334619 (3.66093e-06% change) linmin: converged after 3 iterations. iteration 553: trace = 2.451803927634026 (5.73866e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451803805504083 (4.98123e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451803760167925 (1.84909e-06% change) large trace change predicted (3.96563e-06%) linmin: converged after 4 iterations. iteration 556: trace = 2.451803662939658 (3.96558e-06% change) linmin: converged after 3 iterations. iteration 557: trace = 2.451803472511807 (7.76685e-06% change) linmin: converged after 3 iterations. iteration 558: trace = 2.451803406365509 (2.69786e-06% change) large trace change predicted (3.46964e-05%) linmin: converged after 3 iterations. iteration 559: trace = 2.451802555696506 (3.46957e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.451801982548152 (2.33766e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.451801906952554 (3.08327e-06% change) large trace change predicted (8.84622e-06%) linmin: converged after 8 iterations. iteration 562: trace = 2.451801690096094 (8.84478e-06% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451801613985753 (3.10426e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451801571639047 (1.72717e-06% change) large trace change predicted (5.19395e-06%) linmin: converged after 3 iterations. iteration 565: trace = 2.451801444315304 (5.19307e-06% change) linmin: converged after 23 iterations. iteration 566: trace = 2.451801359505677 (3.45907e-06% change) linmin: converged after 2 iterations. iteration 567: trace = 2.451801310782897 (1.98722e-06% change) large trace change predicted (8.99797e-06%) linmin: converged after 3 iterations. iteration 568: trace = 2.451801090196141 (8.99693e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451801002373334 (3.58197e-06% change) linmin: converged after 3 iterations. iteration 570: trace = 2.451800895528208 (4.35782e-06% change) large trace change predicted (9.24043e-06%) linmin: converged after 3 iterations. iteration 571: trace = 2.451800669005973 (9.23901e-06% change) linmin: converged after 3 iterations. iteration 572: trace = 2.451800475143845 (7.90693e-06% change) linmin: converged after 2 iterations. iteration 573: trace = 2.451800397611408 (3.16227e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451800250724628 (5.99098e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451800097856249 (6.23494e-06% change) linmin: converged after 4 iterations. iteration 576: trace = 2.451799981080339 (4.76286e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799778162104 (8.2763e-06% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451799650819622 (5.19384e-06% change) linmin: converged after 2 iterations. iteration 579: trace = 2.45179958082181 (2.85496e-06% change) large trace change predicted (7.39521e-06%) linmin: converged after 16 iterations. iteration 580: trace = 2.451799399541025 (7.39379e-06% change) linmin: converged after 2 iterations. iteration 581: trace = 2.451799337883764 (2.51478e-06% change) linmin: converged after 4 iterations. iteration 582: trace = 2.45179926618354 (2.92439e-06% change) linmin: converged after 7 iterations. iteration 583: trace = 2.451799194783086 (2.91217e-06% change) linmin: converged after 12 iterations. iteration 584: trace = 2.451799169243016 (1.04169e-06% change) linmin: converged after 8 iterations. iteration 585: trace = 2.451799126081373 (1.76041e-06% change) linmin: converged after 2 iterations. iteration 586: trace = 2.451799056584404 (2.83453e-06% change) linmin: converged after 5 iterations. iteration 587: trace = 2.451799037591654 (7.74645e-07% change) large trace change predicted (2.58954e-06%) linmin: converged after 3 iterations. iteration 588: trace = 2.451798974098954 (2.58964e-06% change) linmin: converged after 5 iterations. iteration 589: trace = 2.451798865056575 (4.44744e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.451798815752565 (2.01093e-06% change) large trace change predicted (6.75032e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.45179865020752 (6.75198e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451798392978084 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 593: trace = 2.451798341014076 (2.11942e-06% change) large trace change predicted (5.91559e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451798195958455 (5.9163e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.451798053437744 (5.81291e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451797948203541 (4.29212e-06% change) linmin: converged after 4 iterations. iteration 597: trace = 2.451797812823868 (5.52165e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797667765789 (5.9164e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451797613208867 (2.22518e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451797573279094 (1.62859e-06% change) linmin: converged after 3 iterations. iteration 601: trace = 2.451797511405647 (2.5236e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.451797495827575 (6.35374e-07% change) linmin: converged after 22 iterations. iteration 603: trace = 2.451797468701521 (1.10637e-06% change) linmin: converged after 2 iterations. iteration 604: trace = 2.451797425297661 (1.77029e-06% change) linmin: converged after 16 iterations. iteration 605: trace = 2.451797413176967 (4.9436e-07% change) large trace change predicted (2.21362e-06%) linmin: converged after 22 iterations. iteration 606: trace = 2.451797358904964 (2.21356e-06% change) linmin: converged after 11 iterations. iteration 607: trace = 2.451797293903835 (2.65116e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.451797254649803 (1.60103e-06% change) large trace change predicted (3.593e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.451797166562065 (3.59278e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451797005492685 (6.56944e-06% change) linmin: converged after 6 iterations. iteration 611: trace = 2.451796920112159 (3.48237e-06% change) linmin: converged after 6 iterations. iteration 612: trace = 2.45179679732706 (5.00796e-06% change) linmin: converged after 6 iterations. iteration 613: trace = 2.451796693564692 (4.2321e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796649410477 (1.80089e-06% change) large trace change predicted (4.06062e-06%) linmin: converged after 3 iterations. iteration 615: trace = 2.451796549857634 (4.0604e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796494649746 (2.25173e-06% change) linmin: converged after 3 iterations. iteration 617: trace = 2.451796462267598 (1.32075e-06% change) linmin: converged after 2 iterations. iteration 618: trace = 2.451796416806242 (1.85421e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451796356724762 (2.45051e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451796344704529 (4.90262e-07% change) large trace change predicted (2.2744e-06%) linmin: converged after 26 iterations. iteration 621: trace = 2.451796288941718 (2.27437e-06% change) linmin: converged after 2 iterations. iteration 622: trace = 2.451796270977686 (7.32689e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451796249624427 (8.70923e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451796214952842 (1.41413e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451796170173427 (1.82639e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451796151665538 (7.54871e-07% change) large trace change predicted (1.78874e-06%) linmin: converged after 3 iterations. iteration 627: trace = 2.45179610780839 (1.78878e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.451796047092974 (2.47636e-06% change) linmin: converged after 26 iterations. iteration 629: trace = 2.451796029479969 (7.18372e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.451796012741334 (6.82709e-07% change) large trace change predicted (2.09654e-06%) linmin: converged after 2 iterations. iteration 631: trace = 2.451795961338387 (2.09654e-06% change) linmin: converged after 9 iterations. iteration 632: trace = 2.45179592602504 (1.44031e-06% change) linmin: converged after 3 iterations. iteration 633: trace = 2.451795905088337 (8.53933e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795863367345 (1.70165e-06% change) linmin: converged after 3 iterations. iteration 635: trace = 2.451795842434369 (8.53781e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451795823253336 (7.82326e-07% change) linmin: converged after 2 iterations. iteration 637: trace = 2.451795792757435 (1.24382e-06% change) linmin: converged after 7 iterations. iteration 638: trace = 2.45179576555358 (1.10955e-06% change) linmin: converged after 8 iterations. iteration 639: trace = 2.451795739773108 (1.05149e-06% change) linmin: converged after 3 iterations. iteration 640: trace = 2.4517956901301 (2.02476e-06% change) linmin: converged after 2 iterations. iteration 641: trace = 2.451795664286969 (1.05405e-06% change) linmin: converged after 15 iterations. iteration 642: trace = 2.45179563766033 (1.08601e-06% change) linmin: converged after 2 iterations. iteration 643: trace = 2.451795588485063 (2.00568e-06% change) linmin: converged after 3 iterations. iteration 644: trace = 2.451795539525068 (1.9969e-06% change) linmin: converged after 19 iterations. iteration 645: trace = 2.451795502640996 (1.50437e-06% change) large trace change predicted (4.31029e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451795396954941 (4.31056e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.451795364800598 (1.31146e-06% change) large trace change predicted (2.93782e-06%) linmin: converged after 2 iterations. iteration 648: trace = 2.451795292770135 (2.93787e-06% change) large trace change predicted (6.32079e-06%) linmin: converged after 3 iterations. iteration 649: trace = 2.451795137780789 (6.32146e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451795085908627 (2.11568e-06% change) linmin: converged after 11 iterations. iteration 651: trace = 2.451795039112831 (1.90863e-06% change) linmin: converged after 16 iterations. iteration 652: trace = 2.451794981825601 (2.33654e-06% change) linmin: converged after 3 iterations. iteration 653: trace = 2.451794964154467 (7.20743e-07% change) large trace change predicted (1.71611e-06%) linmin: converged after 4 iterations. iteration 654: trace = 2.451794922076946 (1.71619e-06% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794889434599 (1.33137e-06% change) linmin: converged after 13 iterations. iteration 656: trace = 2.451794879984825 (3.85423e-07% change) large trace change predicted (9.94414e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.451794855604035 (9.94406e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.451794823053012 (1.32764e-06% change) linmin: converged after 16 iterations. iteration 659: trace = 2.451794811662601 (4.64574e-07% change) large trace change predicted (1.70714e-06%) linmin: converged after 5 iterations. iteration 660: trace = 2.451794769807879 (1.70711e-06% change) linmin: converged after 3 iterations. iteration 661: trace = 2.451794708290626 (2.50907e-06% change) linmin: converged after 3 iterations. iteration 662: trace = 2.451794634213091 (3.02136e-06% change) linmin: converged after 19 iterations. iteration 663: trace = 2.451794612022829 (9.05062e-07% change) large trace change predicted (3.52775e-06%) linmin: converged after 4 iterations. iteration 664: trace = 2.451794525544635 (3.52714e-06% change) linmin: converged after 4 iterations. iteration 665: trace = 2.451794469815066 (2.27301e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.451794420057125 (2.02945e-06% change) large trace change predicted (5.20654e-06%) linmin: converged after 5 iterations. iteration 667: trace = 2.451794292444008 (5.20489e-06% change) linmin: converged after 3 iterations. iteration 668: trace = 2.451794165930693 (5.16003e-06% change) linmin: converged after 4 iterations. iteration 669: trace = 2.451794133465237 (1.32415e-06% change) large trace change predicted (3.19858e-06%) linmin: converged after 11 iterations. iteration 670: trace = 2.451794055050618 (3.19825e-06% change) linmin: converged after 5 iterations. iteration 671: trace = 2.451794029890598 (1.02619e-06% change) linmin: converged after 3 iterations. iteration 672: trace = 2.45179401156865 (7.47287e-07% change) large trace change predicted (1.51873e-06%) linmin: converged after 6 iterations. iteration 673: trace = 2.451793974332896 (1.51871e-06% change) linmin: converged after 3 iterations. iteration 674: trace = 2.451793962126843 (4.97842e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.451793946727369 (6.2809e-07% change) large trace change predicted (1.33892e-06%) linmin: converged after 2 iterations. iteration 676: trace = 2.451793913899442 (1.33893e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793874281844 (1.61586e-06% change) linmin: converged after 3 iterations. iteration 678: trace = 2.451793859883507 (5.87257e-07% change) large trace change predicted (2.37031e-06%) linmin: converged after 3 iterations. iteration 679: trace = 2.451793801762028 (2.37057e-06% change) linmin: converged after 3 iterations. iteration 680: trace = 2.45179375962895 (1.71846e-06% change) linmin: converged after 2 iterations. iteration 681: trace = 2.451793723775928 (1.46232e-06% change) large trace change predicted (3.58492e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793635857668 (3.58588e-06% change) linmin: converged after 3 iterations. iteration 683: trace = 2.451793595839454 (1.6322e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793522898229 (2.97501e-06% change) linmin: converged after 4 iterations. iteration 685: trace = 2.451793441862717 (3.30515e-06% change) linmin: converged after 3 iterations. iteration 686: trace = 2.451793417050211 (1.01201e-06% change) large trace change predicted (2.28174e-06%) linmin: converged after 2 iterations. iteration 687: trace = 2.451793361103791 (2.28186e-06% change) linmin: converged after 3 iterations. iteration 688: trace = 2.45179327485653 (3.51772e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451793244726272 (1.22891e-06% change) linmin: converged after 8 iterations. iteration 690: trace = 2.45179320944602 (1.43896e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451793151290725 (2.37195e-06% change) linmin: converged after 2 iterations. iteration 692: trace = 2.451793130443018 (8.50304e-07% change) linmin: converged after 15 iterations. iteration 693: trace = 2.451793098215616 (1.31444e-06% change) linmin: converged after 13 iterations. iteration 694: trace = 2.451793054669052 (1.77611e-06% change) linmin: converged after 19 iterations. iteration 695: trace = 2.451793041170863 (5.50544e-07% change) linmin: converged after 2 iterations. iteration 696: trace = 2.451793017141788 (9.80061e-07% change) large trace change predicted (2.72664e-06%) linmin: converged after 3 iterations. iteration 697: trace = 2.451792950287839 (2.72674e-06% change) linmin: converged after 4 iterations. iteration 698: trace = 2.45179291676277 (1.36737e-06% change) large trace change predicted (4.11915e-06%) linmin: converged after 2 iterations. iteration 699: trace = 2.451792815767903 (4.11923e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 700: trace = 2.451792735973971 (3.25451e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792713385848 (9.2129e-07% change) large trace change predicted (2.24644e-06%) linmin: converged after 27 iterations. iteration 702: trace = 2.451792658309004 (2.24639e-06% change) linmin: converged after 8 iterations. iteration 703: trace = 2.451792637528764 (8.47553e-07% change) linmin: converged after 4 iterations. iteration 704: trace = 2.451792624061017 (5.49302e-07% change) large trace change predicted (1.7001e-06%) linmin: converged after 3 iterations. iteration 705: trace = 2.451792582379331 (1.70005e-06% change) linmin: converged after 16 iterations. iteration 706: trace = 2.45179255538638 (1.10095e-06% change) linmin: converged after 18 iterations. iteration 707: trace = 2.451792537408584 (7.33251e-07% change) large trace change predicted (2.25362e-06%) linmin: converged after 6 iterations. iteration 708: trace = 2.451792482156694 (2.25353e-06% change) linmin: converged after 3 iterations. iteration 709: trace = 2.451792465849439 (6.65116e-07% change) large trace change predicted (1.33888e-06%) linmin: converged after 3 iterations. iteration 710: trace = 2.451792433024327 (1.33882e-06% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451792391095912 (1.71011e-06% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451792367973385 (9.43087e-07% change) linmin: converged after 3 iterations. iteration 713: trace = 2.451792340588103 (1.11695e-06% change) linmin: converged after 4 iterations. iteration 714: trace = 2.451792302327005 (1.56054e-06% change) linmin: converged after 23 iterations. iteration 715: trace = 2.451792278794445 (9.5981e-07% change) large trace change predicted (2.39835e-06%) linmin: converged after 4 iterations. iteration 716: trace = 2.451792219997243 (2.39813e-06% change) linmin: converged after 4 iterations. iteration 717: trace = 2.45179215196424 (2.77483e-06% change) linmin: converged after 2 iterations. iteration 718: trace = 2.451792133137846 (7.67863e-07% change) large trace change predicted (1.8277e-06%) linmin: converged after 19 iterations. iteration 719: trace = 2.451792088331478 (1.82749e-06% change) linmin: converged after 4 iterations. iteration 720: trace = 2.451792045582993 (1.74356e-06% change) linmin: converged after 22 iterations. iteration 721: trace = 2.451792036069681 (3.88015e-07% change) large trace change predicted (1.12578e-06%) linmin: converged after 16 iterations. iteration 722: trace = 2.451792008467948 (1.12578e-06% change) linmin: converged after 10 iterations. iteration 723: trace = 2.45179198955999 (7.71189e-07% change) linmin: converged after 7 iterations. iteration 724: trace = 2.451791985092234 (1.82224e-07% change) large trace change predicted (4.22936e-07%) linmin: converged after 13 iterations. iteration 725: trace = 2.451791974722604 (4.22941e-07% change) linmin: converged after 8 iterations. iteration 726: trace = 2.451791956378741 (7.48182e-07% change) linmin: converged after 10 iterations. iteration 727: trace = 2.451791950427283 (2.42739e-07% change) large trace change predicted (6.32523e-07%) linmin: converged after 3 iterations. iteration 728: trace = 2.451791934918383 (6.32554e-07% change) large trace change predicted (1.58896e-06%) linmin: converged after 15 iterations. iteration 729: trace = 2.451791895956499 (1.58912e-06% change) linmin: converged after 10 iterations. iteration 730: trace = 2.451791861578978 (1.40214e-06% change) linmin: converged after 6 iterations. iteration 731: trace = 2.451791832578483 (1.18283e-06% change) large trace change predicted (2.51013e-06%) linmin: converged after 4 iterations. iteration 732: trace = 2.451791771020753 (2.51072e-06% change) linmin: converged after 6 iterations. iteration 733: trace = 2.451791747921329 (9.42145e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.45179172199811 (1.05732e-06% change) linmin: converged after 2 iterations. iteration 735: trace = 2.451791681180189 (1.66482e-06% change) linmin: converged after 21 iterations. iteration 736: trace = 2.451791663920676 (7.03955e-07% change) large trace change predicted (1.42046e-06%) linmin: converged after 3 iterations. iteration 737: trace = 2.451791629094082 (1.42045e-06% change) linmin: converged after 3 iterations. iteration 738: trace = 2.451791597026106 (1.30794e-06% change) linmin: converged after 3 iterations. iteration 739: trace = 2.451791584493572 (5.11158e-07% change) linmin: converged after 3 iterations. iteration 740: trace = 2.451791573347998 (4.54589e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.451791557905974 (6.29826e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791553693612 (1.71808e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.451791546815618 (2.80529e-07% change) linmin: converged after 8 iterations. iteration 744: trace = 2.451791535594135 (4.57685e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791532954725 (1.07652e-07% change) large trace change predicted (8.23857e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.45179151275595 (8.23837e-07% change) linmin: converged after 2 iterations. iteration 747: trace = 2.451791500115765 (5.15549e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.451791484009999 (6.56898e-07% change) linmin: converged after 6 iterations. iteration 749: trace = 2.451791455247939 (1.1731e-06% change) linmin: converged after 3 iterations. iteration 750: trace = 2.451791407870619 (1.93236e-06% change) linmin: converged after 3 iterations. iteration 751: trace = 2.451791395788454 (4.92789e-07% change) large trace change predicted (1.05106e-06%) linmin: converged after 5 iterations. iteration 752: trace = 2.451791370018292 (1.05107e-06% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791337156644 (1.34031e-06% change) linmin: converged after 7 iterations. iteration 754: trace = 2.45179132960818 (3.07875e-07% change) large trace change predicted (8.59089e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.451791308545715 (8.59064e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451791294509581 (5.72485e-07% change) linmin: converged after 2 iterations. iteration 757: trace = 2.451791287850632 (2.71595e-07% change) large trace change predicted (5.73049e-07%) linmin: converged after 3 iterations. iteration 758: trace = 2.451791273800747 (5.73046e-07% change) linmin: converged after 5 iterations. iteration 759: trace = 2.451791254442803 (7.89543e-07% change) linmin: converged after 7 iterations. iteration 760: trace = 2.451791250679621 (1.53487e-07% change) large trace change predicted (5.76617e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.451791236542554 (5.76602e-07% change) linmin: converged after 10 iterations. iteration 762: trace = 2.451791228177568 (3.41179e-07% change) linmin: converged after 3 iterations. iteration 763: trace = 2.451791222089034 (2.4833e-07% change) linmin: converged after 2 iterations. iteration 764: trace = 2.45179121837512 (1.51478e-07% change) large trace change predicted (4.70197e-07%) linmin: converged after 2 iterations. iteration 765: trace = 2.451791206846856 (4.70198e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.451791199724155 (2.9051e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.451791193275321 (2.63025e-07% change) large trace change predicted (6.02358e-07%) linmin: converged after 2 iterations. iteration 768: trace = 2.451791178506686 (6.02361e-07% change) linmin: converged after 16 iterations. iteration 769: trace = 2.451791170879737 (3.11077e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.451791163588499 (2.97384e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.451791149922613 (5.57384e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.45179114388743 (2.46154e-07% change) linmin: converged after 6 iterations. iteration 773: trace = 2.451791136832123 (2.87761e-07% change) linmin: converged after 2 iterations. iteration 774: trace = 2.451791126337473 (4.2804e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.451791122995828 (1.36294e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.45179111679879 (2.52756e-07% change) linmin: converged after 2 iterations. iteration 777: trace = 2.451791109191606 (3.1027e-07% change) linmin: converged after 9 iterations. iteration 778: trace = 2.45179110239284 (2.77298e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451791093004328 (3.82925e-07% change) linmin: converged after 3 iterations. iteration 780: trace = 2.451791077222339 (6.43692e-07% change) linmin: converged after 2 iterations. iteration 781: trace = 2.451791073093088 (1.68418e-07% change) large trace change predicted (5.38894e-07%) linmin: converged after 24 iterations. iteration 782: trace = 2.451791059880235 (5.38906e-07% change) linmin: converged after 2 iterations. iteration 783: trace = 2.451791048214907 (4.75788e-07% change) linmin: converged after 14 iterations. iteration 784: trace = 2.451791043662033 (1.85696e-07% change) large trace change predicted (7.44705e-07%) linmin: converged after 16 iterations. iteration 785: trace = 2.451791025402476 (7.44744e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.451791002705439 (9.25733e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790994296228 (3.42982e-07% change) large trace change predicted (9.31606e-07%) linmin: converged after 2 iterations. iteration 788: trace = 2.451790971454671 (9.31627e-07% change) linmin: converged after 2 iterations. iteration 789: trace = 2.451790936202922 (1.4378e-06% change) linmin: converged after 3 iterations. iteration 790: trace = 2.451790929346274 (2.79659e-07% change) large trace change predicted (8.69486e-07%) linmin: converged after 3 iterations. iteration 791: trace = 2.451790908027687 (8.69511e-07% change) linmin: converged after 2 iterations. iteration 792: trace = 2.451790893576357 (5.89419e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.451790890020725 (1.45022e-07% change) large trace change predicted (5.32387e-07%) linmin: converged after 2 iterations. iteration 794: trace = 2.451790876967421 (5.32399e-07% change) linmin: converged after 3 iterations. iteration 795: trace = 2.451790868820841 (3.32271e-07% change) linmin: converged after 20 iterations. iteration 796: trace = 2.451790866257376 (1.04555e-07% change) linmin: converged after 2 iterations. iteration 797: trace = 2.451790861780407 (1.826e-07% change) large trace change predicted (3.96954e-07%) linmin: converged after 2 iterations. iteration 798: trace = 2.451790852047909 (3.96955e-07% change) linmin: converged after 6 iterations. iteration 799: trace = 2.451790847076646 (2.02761e-07% change) large trace change predicted (4.08768e-07%) linmin: converged after 5 iterations. iteration 800: trace = 2.451790837054765 (4.08758e-07% change) linmin: converged after 3 iterations. iteration 801: trace = 2.451790817335906 (8.04264e-07% change) linmin: converged after 6 iterations. iteration 802: trace = 2.451790794602013 (9.27236e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.451790786000812 (3.50813e-07% change) large trace change predicted (1.02455e-06%) linmin: converged after 5 iterations. iteration 804: trace = 2.451790760882183 (1.0245e-06% change) linmin: converged after 16 iterations. iteration 805: trace = 2.451790740503937 (8.31158e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.451790730236656 (4.18767e-07% change) large trace change predicted (1.1669e-06%) linmin: converged after 3 iterations. iteration 807: trace = 2.451790701629887 (1.16677e-06% change) linmin: converged after 4 iterations. iteration 808: trace = 2.451790674914408 (1.08963e-06% change) linmin: converged after 11 iterations. iteration 809: trace = 2.451790667117731 (3.17999e-07% change) large trace change predicted (7.77162e-07%) linmin: converged after 14 iterations. iteration 810: trace = 2.451790648064388 (7.7712e-07% change) linmin: converged after 4 iterations. iteration 811: trace = 2.451790640953193 (2.90041e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.451790637185523 (1.5367e-07% change) large trace change predicted (3.43254e-07%) linmin: converged after 12 iterations. iteration 813: trace = 2.451790628769825 (3.43247e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790625950864 (1.14976e-07% change) linmin: converged after 8 iterations. iteration 815: trace = 2.451790622016659 (1.60462e-07% change) large trace change predicted (3.50387e-07%) linmin: converged after 2 iterations. iteration 816: trace = 2.451790613425877 (3.50388e-07% change) linmin: converged after 4 iterations. iteration 817: trace = 2.451790604263075 (3.73719e-07% change) linmin: converged after 3 iterations. iteration 818: trace = 2.451790596543134 (3.1487e-07% change) large trace change predicted (7.49179e-07%) linmin: converged after 3 iterations. iteration 819: trace = 2.451790578173797 (7.49221e-07% change) linmin: converged after 3 iterations. iteration 820: trace = 2.451790565854311 (5.02469e-07% change) linmin: converged after 5 iterations. iteration 821: trace = 2.45179055377303 (4.92753e-07% change) large trace change predicted (1.24216e-06%) linmin: converged after 3 iterations. iteration 822: trace = 2.451790523313139 (1.24235e-06% change) linmin: converged after 4 iterations. iteration 823: trace = 2.451790506795848 (6.73683e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.451790490932665 (6.47004e-07% change) linmin: converged after 3 iterations. iteration 825: trace = 2.451790475293392 (6.37872e-07% change) linmin: converged after 10 iterations. iteration 826: trace = 2.451790466892733 (3.42634e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.451790458534979 (3.40884e-07% change) linmin: converged after 2 iterations. iteration 828: trace = 2.451790442893108 (6.37977e-07% change) linmin: converged after 5 iterations. iteration 829: trace = 2.451790433408977 (3.86825e-07% change) linmin: converged after 16 iterations. iteration 830: trace = 2.451790426941059 (2.63804e-07% change) large trace change predicted (7.12545e-07%) linmin: converged after 5 iterations. iteration 831: trace = 2.451790409470244 (7.12574e-07% change) linmin: converged after 19 iterations. iteration 832: trace = 2.451790402203408 (2.96389e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.451790393834325 (3.41346e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790380438437 (5.46372e-07% change) linmin: converged after 10 iterations. iteration 835: trace = 2.451790373523198 (2.82049e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.451790370151761 (1.37509e-07% change) large trace change predicted (5.80216e-07%) linmin: converged after 25 iterations. iteration 837: trace = 2.451790355925887 (5.80224e-07% change) linmin: converged after 3 iterations. iteration 838: trace = 2.451790340317039 (6.36631e-07% change) linmin: converged after 2 iterations. iteration 839: trace = 2.451790324464929 (6.46552e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.451790309779352 (5.98974e-07% change) linmin: converged after 18 iterations. iteration 841: trace = 2.45179029649365 (5.41878e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.45179028307721 (5.4721e-07% change) linmin: converged after 3 iterations. iteration 843: trace = 2.451790279670369 (1.38953e-07% change) linmin: converged after 3 iterations. iteration 844: trace = 2.451790273062005 (2.69532e-07% change) linmin: converged after 21 iterations. iteration 845: trace = 2.451790261480712 (4.72361e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790259224823 (9.20098e-08% change) large trace change predicted (4.1551e-07%) linmin: converged after 16 iterations. iteration 847: trace = 2.451790249037572 (4.15503e-07% change) linmin: converged after 10 iterations. iteration 848: trace = 2.451790237706153 (4.62169e-07% change) linmin: converged after 7 iterations. iteration 849: trace = 2.451790232156626 (2.26346e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790222441097 (3.96263e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.451790213537884 (3.63131e-07% change) linmin: converged after 16 iterations. iteration 852: trace = 2.451790208676213 (1.98291e-07% change) large trace change predicted (4.41386e-07%) linmin: converged after 6 iterations. iteration 853: trace = 2.451790197854555 (4.41378e-07% change) linmin: converged after 3 iterations. iteration 854: trace = 2.451790191124031 (2.74515e-07% change) linmin: converged after 4 iterations. iteration 855: trace = 2.451790184160896 (2.84002e-07% change) large trace change predicted (7.53085e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.451790165698048 (7.53035e-07% change) linmin: converged after 6 iterations. iteration 857: trace = 2.45179015009668 (6.36326e-07% change) linmin: converged after 3 iterations. iteration 858: trace = 2.451790143604585 (2.6479e-07% change) linmin: converged after 14 iterations. iteration 859: trace = 2.451790132254787 (4.62919e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451790121261698 (4.4837e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.451790118898645 (9.63807e-08% change) large trace change predicted (3.79461e-07%) linmin: converged after 3 iterations. iteration 862: trace = 2.45179010959524 (3.79454e-07% change) linmin: converged after 6 iterations. iteration 863: trace = 2.45179010705539 (1.03592e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451790104476392 (1.05188e-07% change) linmin: converged after 7 iterations. iteration 865: trace = 2.451790101403323 (1.2534e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451790097444481 (1.61467e-07% change) linmin: converged after 15 iterations. iteration 867: trace = 2.451790095628192 (7.40801e-08% change) large trace change predicted (1.95522e-07%) linmin: converged after 23 iterations. iteration 868: trace = 2.451790090834302 (1.95526e-07% change) large trace change predicted (4.25874e-07%) linmin: converged after 9 iterations. iteration 869: trace = 2.45179008039213 (4.259e-07% change) linmin: converged after 4 iterations. iteration 870: trace = 2.451790077448802 (1.20048e-07% change) large trace change predicted (6.0249e-07%) linmin: converged after 2 iterations. iteration 871: trace = 2.451790062675531 (6.0255e-07% change) linmin: converged after 5 iterations. iteration 872: trace = 2.451790051455813 (4.57613e-07% change) linmin: converged after 15 iterations. iteration 873: trace = 2.451790045147716 (2.57285e-07% change) linmin: converged after 4 iterations. iteration 874: trace = 2.451790035301876 (4.01578e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.451790024447664 (4.42706e-07% change) linmin: converged after 15 iterations. iteration 876: trace = 2.451790020630139 (1.55704e-07% change) large trace change predicted (4.65255e-07%) linmin: converged after 3 iterations. iteration 877: trace = 2.451790009222636 (4.65272e-07% change) linmin: converged after 4 iterations. iteration 878: trace = 2.451790002210733 (2.85991e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789999285162 (1.19324e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.45178999465364 (1.88904e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789991462778 (1.30144e-07% change) linmin: converged after 10 iterations. iteration 882: trace = 2.451789989911505 (6.3271e-08% change) linmin: converged after 2 iterations. iteration 883: trace = 2.451789987774147 (8.71754e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.45178998561956 (8.78781e-08% change) linmin: converged after 32 iterations. iteration 885: trace = 2.451789984060726 (6.35794e-08% change) large trace change predicted (2.26079e-07%) linmin: converged after 3 iterations. iteration 886: trace = 2.451789978517803 (2.26077e-07% change) linmin: converged after 3 iterations. iteration 887: trace = 2.451789975618574 (1.18249e-07% change) linmin: converged after 21 iterations. iteration 888: trace = 2.451789970752478 (1.98471e-07% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789963007556 (3.15888e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.4517899579975 (2.04343e-07% change) linmin: converged after 3 iterations. iteration 891: trace = 2.45178994846777 (3.88685e-07% change) linmin: converged after 9 iterations. iteration 892: trace = 2.451789940500019 (3.24977e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789931682476 (3.59637e-07% change) linmin: converged after 11 iterations. iteration 894: trace = 2.451789929697368 (8.09657e-08% change) large trace change predicted (2.14415e-07%) linmin: converged after 16 iterations. iteration 895: trace = 2.451789924440501 (2.14409e-07% change) linmin: converged after 3 iterations. iteration 896: trace = 2.451789920666248 (1.53939e-07% change) linmin: converged after 9 iterations. iteration 897: trace = 2.451789918914021 (7.14673e-08% change) linmin: converged after 8 iterations. iteration 898: trace = 2.451789915531875 (1.37946e-07% change) linmin: converged after 3 iterations. iteration 899: trace = 2.451789911150354 (1.78707e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789909905673 (5.07662e-08% change) large trace change predicted (1.76165e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.451789905586541 (1.76162e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.451789904563604 (4.17221e-08% change) linmin: converged after 3 iterations. iteration 903: trace = 2.451789902854239 (6.97191e-08% change) linmin: converged after 3 iterations. iteration 904: trace = 2.451789900655728 (8.96697e-08% change) linmin: converged after 2 iterations. iteration 905: trace = 2.451789897972549 (1.09438e-07% change) linmin: converged after 4 iterations. iteration 906: trace = 2.451789896889578 (4.41706e-08% change) large trace change predicted (1.05592e-07%) linmin: converged after 2 iterations. iteration 907: trace = 2.45178989430069 (1.05592e-07% change) linmin: converged after 2 iterations. iteration 908: trace = 2.451789890957687 (1.36349e-07% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789889732013 (4.9991e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 910: trace = 2.451789888533851 (4.88689e-08% change) large trace change predicted (1.2737e-07%) linmin: converged after 2 iterations. iteration 911: trace = 2.451789885411004 (1.2737e-07% change) linmin: converged after 4 iterations. iteration 912: trace = 2.451789882973843 (9.94033e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.451789881904536 (4.36133e-08% change) large trace change predicted (1.05932e-07%) linmin: converged after 4 iterations. iteration 914: trace = 2.451789879307316 (1.05932e-07% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789877254513 (8.37267e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.451789875938015 (5.36954e-08% change) linmin: converged after 4 iterations. iteration 917: trace = 2.451789874643029 (5.2818e-08% change) large trace change predicted (1.47752e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789871020394 (1.47755e-07% change) linmin: converged after 4 iterations. iteration 919: trace = 2.451789870072425 (3.86643e-08% change) large trace change predicted (1.29495e-07%) linmin: converged after 6 iterations. iteration 920: trace = 2.45178986689743 (1.29497e-07% change) linmin: converged after 2 iterations. iteration 921: trace = 2.451789863729079 (1.29226e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.451789862594803 (4.62632e-08% change) large trace change predicted (1.72944e-07%) linmin: converged after 6 iterations. iteration 923: trace = 2.45178985835452 (1.72946e-07% change) linmin: converged after 18 iterations. iteration 924: trace = 2.451789854009284 (1.77227e-07% change) linmin: converged after 3 iterations. iteration 925: trace = 2.451789852099355 (7.78994e-08% change) large trace change predicted (2.94273e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789844884257 (2.94279e-07% change) linmin: converged after 19 iterations. iteration 927: trace = 2.451789839801303 (2.07316e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789837325225 (1.00991e-07% change) large trace change predicted (3.74766e-07%) linmin: converged after 3 iterations. iteration 929: trace = 2.451789828136397 (3.7478e-07% change) linmin: converged after 4 iterations. iteration 930: trace = 2.451789824134031 (1.63243e-07% change) linmin: converged after 7 iterations. iteration 931: trace = 2.451789820661545 (1.41631e-07% change) linmin: converged after 3 iterations. iteration 932: trace = 2.451789816782019 (1.58232e-07% change) linmin: converged after 9 iterations. iteration 933: trace = 2.451789813578717 (1.30652e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789812508383 (4.36552e-08% change) large trace change predicted (8.96536e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.451789810310252 (8.96541e-08% change) linmin: converged after 5 iterations. iteration 936: trace = 2.451789808910722 (5.7082e-08% change) linmin: converged after 11 iterations. iteration 937: trace = 2.451789807462006 (5.90881e-08% change) linmin: converged after 3 iterations. iteration 938: trace = 2.451789805875364 (6.47136e-08% change) linmin: converged after 15 iterations. iteration 939: trace = 2.451789802780504 (1.26229e-07% change) linmin: converged after 3 iterations. iteration 940: trace = 2.451789799165365 (1.47449e-07% change) linmin: converged after 7 iterations. iteration 941: trace = 2.451789796291298 (1.17223e-07% change) large trace change predicted (2.9045e-07%) linmin: converged after 4 iterations. iteration 942: trace = 2.451789789170184 (2.90446e-07% change) linmin: converged after 6 iterations. iteration 943: trace = 2.45178978657745 (1.05749e-07% change) large trace change predicted (2.46424e-07%) linmin: converged after 4 iterations. iteration 944: trace = 2.451789780535648 (2.46424e-07% change) linmin: converged after 7 iterations. iteration 945: trace = 2.451789774993603 (2.26041e-07% change) linmin: converged after 9 iterations. iteration 946: trace = 2.451789770389197 (1.87798e-07% change) linmin: converged after 3 iterations. iteration 947: trace = 2.451789765370563 (2.04693e-07% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789757170754 (3.34442e-07% change) linmin: converged after 19 iterations. iteration 949: trace = 2.451789755008747 (8.81808e-08% change) linmin: converged after 5 iterations. iteration 950: trace = 2.451789750811095 (1.71208e-07% change) linmin: converged after 4 iterations. iteration 951: trace = 2.451789748463809 (9.57377e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789747695404 (3.13406e-08% change) large trace change predicted (8.25276e-08%) linmin: converged after 4 iterations. iteration 953: trace = 2.45178974567201 (8.25272e-08% change) linmin: converged after 5 iterations. iteration 954: trace = 2.451789744313788 (5.53972e-08% change) linmin: converged after 2 iterations. iteration 955: trace = 2.451789743483708 (3.38561e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789741842887 (6.69234e-08% change) large trace change predicted (1.64795e-07%) linmin: converged after 19 iterations. iteration 957: trace = 2.451789737802367 (1.64799e-07% change) linmin: converged after 18 iterations. iteration 958: trace = 2.4517897369849 (3.33416e-08% change) large trace change predicted (2.40626e-07%) linmin: converged after 3 iterations. iteration 959: trace = 2.451789731084944 (2.40639e-07% change) linmin: converged after 13 iterations. iteration 960: trace = 2.451789727801833 (1.33907e-07% change) linmin: converged after 10 iterations. iteration 961: trace = 2.451789724031748 (1.53769e-07% change) linmin: converged after 17 iterations. iteration 962: trace = 2.451789717437777 (2.68945e-07% change) linmin: converged after 3 iterations. iteration 963: trace = 2.451789710619834 (2.7808e-07% change) linmin: converged after 3 iterations. iteration 964: trace = 2.451789708627269 (8.12698e-08% change) linmin: converged after 2 iterations. iteration 965: trace = 2.451789704819428 (1.55309e-07% change) linmin: converged after 2 iterations. iteration 966: trace = 2.451789700866408 (1.6123e-07% change) linmin: converged after 2 iterations. iteration 967: trace = 2.451789699702646 (4.74658e-08% change) large trace change predicted (1.65908e-07%) linmin: converged after 9 iterations. iteration 968: trace = 2.451789695634835 (1.65912e-07% change) linmin: converged after 18 iterations. iteration 969: trace = 2.451789692516184 (1.27199e-07% change) linmin: converged after 12 iterations. iteration 970: trace = 2.45178969012336 (9.7595e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.451789687186673 (1.19777e-07% change) linmin: converged after 4 iterations. iteration 972: trace = 2.451789684013402 (1.29427e-07% change) linmin: converged after 4 iterations. iteration 973: trace = 2.451789683230611 (3.19273e-08% change) large trace change predicted (1.54432e-07%) linmin: converged after 4 iterations. iteration 974: trace = 2.451789679444196 (1.54435e-07% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896774956 (7.94765e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.451789676277236 (4.96928e-08% change) large trace change predicted (1.45095e-07%) linmin: converged after 7 iterations. iteration 977: trace = 2.45178967271978 (1.45096e-07% change) linmin: converged after 3 iterations. iteration 978: trace = 2.451789668089779 (1.88842e-07% change) linmin: converged after 3 iterations. iteration 979: trace = 2.451789661871158 (2.53636e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.451789655978992 (2.40321e-07% change) linmin: converged after 7 iterations. iteration 981: trace = 2.451789651840893 (1.68779e-07% change) linmin: converged after 7 iterations. iteration 982: trace = 2.451789648976571 (1.16826e-07% change) linmin: converged after 2 iterations. iteration 983: trace = 2.451789647470846 (6.14133e-08% change) linmin: converged after 3 iterations. iteration 984: trace = 2.45178964574123 (7.0545e-08% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789643545518 (8.95555e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.451789642173499 (5.59599e-08% change) large trace change predicted (1.1649e-07%) linmin: converged after 4 iterations. iteration 987: trace = 2.451789639317437 (1.16489e-07% change) linmin: converged after 25 iterations. iteration 988: trace = 2.451789637814333 (6.13064e-08% change) linmin: converged after 19 iterations. iteration 989: trace = 2.451789635294094 (1.02792e-07% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789632940412 (9.59985e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789631620998 (5.38143e-08% change) linmin: converged after 9 iterations. iteration 992: trace = 2.451789629097917 (1.02908e-07% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789626085564 (1.22863e-07% change) linmin: converged after 6 iterations. iteration 994: trace = 2.451789624882579 (4.90656e-08% change) linmin: converged after 3 iterations. iteration 995: trace = 2.451789622540261 (9.5535e-08% change) large trace change predicted (1.9429e-07%) linmin: converged after 29 iterations. iteration 996: trace = 2.451789617776852 (1.94283e-07% change) linmin: converged after 4 iterations. iteration 997: trace = 2.451789615236879 (1.03597e-07% change) linmin: converged after 5 iterations. iteration 998: trace = 2.451789612509987 (1.1122e-07% change) linmin: converged after 21 iterations. iteration 999: trace = 2.451789609317619 (1.30206e-07% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.451789607475173 (7.5147e-08% change) linmin: converged after 3 iterations. iteration 1001: trace = 2.451789605338165 (8.71612e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.451789602775535 (1.04521e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789602225163 (2.24477e-08% change) linmin: converged after 14 iterations. iteration 1004: trace = 2.451789601429678 (3.24451e-08% change) linmin: converged after 33 iterations. iteration 1005: trace = 2.45178960062488 (3.28249e-08% change) linmin: converged after 17 iterations. iteration 1006: trace = 2.451789600019859 (2.46767e-08% change) linmin: converged after 7 iterations. iteration 1007: trace = 2.4517895991516 (3.54133e-08% change) linmin: converged after 2 iterations. iteration 1008: trace = 2.451789597882093 (5.17788e-08% change) linmin: converged after 10 iterations. iteration 1009: trace = 2.451789596104106 (7.25179e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789594545208 (6.35821e-08% change) large trace change predicted (1.67227e-07%) linmin: converged after 5 iterations. iteration 1011: trace = 2.451789590444923 (1.67236e-07% change) linmin: converged after 25 iterations. iteration 1012: trace = 2.45178958769409 (1.12197e-07% change) linmin: converged after 14 iterations. iteration 1013: trace = 2.45178958573254 (8.00049e-08% change) linmin: converged after 18 iterations. iteration 1014: trace = 2.451789583208535 (1.02945e-07% change) linmin: converged after 10 iterations. iteration 1015: trace = 2.451789580460516 (1.12082e-07% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.451789579475492 (4.01757e-08% change) large trace change predicted (1.2567e-07%) linmin: converged after 4 iterations. iteration 1017: trace = 2.451789576394273 (1.25672e-07% change) linmin: converged after 13 iterations. iteration 1018: trace = 2.451789574570138 (7.44001e-08% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.451789573720643 (3.4648e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789572508435 (4.94418e-08% change) linmin: converged after 2 iterations. iteration 1021: trace = 2.451789571573996 (3.81125e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.451789571273923 (1.22389e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.451789570750298 (2.13568e-08% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.451789570126833 (2.5429e-08% change) linmin: converged after 6 iterations. iteration 1025: trace = 2.451789569776392 (1.42933e-08% change) large trace change predicted (5.94042e-08%) linmin: converged after 6 iterations. iteration 1026: trace = 2.451789568319939 (5.94037e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.451789567457952 (3.51575e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.451789566347172 (4.53048e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.451789564307751 (8.31809e-08% change) linmin: converged after 8 iterations. iteration 1030: trace = 2.451789561996814 (9.42551e-08% change) linmin: converged after 6 iterations. iteration 1031: trace = 2.451789560545204 (5.92061e-08% change) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789558445644 (8.56338e-08% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.451789556752543 (6.90557e-08% change) linmin: converged after 2 iterations. iteration 1034: trace = 2.451789555747037 (4.10111e-08% change) linmin: converged after 8 iterations. iteration 1035: trace = 2.4517895541325 (6.58514e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789552990859 (4.65636e-08% change) linmin: converged after 10 iterations. iteration 1037: trace = 2.451789552597349 (1.60499e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.451789551828049 (3.13771e-08% change) linmin: converged after 11 iterations. iteration 1039: trace = 2.451789550596152 (5.02448e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.451789550296945 (1.22036e-08% change) large trace change predicted (4.1411e-08%) linmin: converged after 3 iterations. iteration 1041: trace = 2.451789549281639 (4.14108e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789548760959 (2.12367e-08% change) linmin: converged after 3 iterations. iteration 1043: trace = 2.451789548535636 (9.19014e-09% change) large trace change predicted (2.14469e-08%) linmin: converged after 2 iterations. iteration 1044: trace = 2.451789548009803 (2.14469e-08% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.45178954741993 (2.40589e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789547097788 (1.31391e-08% change) large trace change predicted (3.00318e-08%) linmin: converged after 25 iterations. iteration 1047: trace = 2.451789546361467 (3.0032e-08% change) linmin: converged after 2 iterations. iteration 1048: trace = 2.45178954531799 (4.25598e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.45178954503696 (1.14622e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.451789544764952 (1.10943e-08% change) large trace change predicted (3.87873e-08%) linmin: converged after 2 iterations. iteration 1051: trace = 2.451789543813969 (3.87873e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.451789543334399 (1.956e-08% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.451789542889757 (1.81354e-08% change) linmin: converged after 3 iterations. iteration 1054: trace = 2.451789542213203 (2.75943e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789541731634 (1.96415e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789541525542 (8.4058e-09% change) large trace change predicted (2.13722e-08%) linmin: converged after 7 iterations. iteration 1057: trace = 2.451789541001534 (2.13725e-08% change) linmin: converged after 10 iterations. iteration 1058: trace = 2.451789540308194 (2.82789e-08% change) linmin: converged after 10 iterations. iteration 1059: trace = 2.451789539845627 (1.88665e-08% change) large trace change predicted (4.14182e-08%) linmin: converged after 6 iterations. iteration 1060: trace = 2.451789538830124 (4.14188e-08% change) linmin: converged after 29 iterations. iteration 1061: trace = 2.451789538384306 (1.81834e-08% change) linmin: converged after 17 iterations. iteration 1062: trace = 2.45178953783625 (2.23533e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.451789536758813 (4.39449e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.451789536364786 (1.6071e-08% change) large trace change predicted (5.01252e-08%) linmin: converged after 4 iterations. iteration 1065: trace = 2.451789535135801 (5.0126e-08% change) linmin: converged after 11 iterations. iteration 1066: trace = 2.451789533249406 (7.69395e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178953210343 (4.67404e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.451789531377887 (2.95924e-08% change) large trace change predicted (8.92514e-08%) linmin: converged after 10 iterations. iteration 1069: trace = 2.451789529189583 (8.92533e-08% change) linmin: converged after 2 iterations. iteration 1070: trace = 2.451789528090198 (4.48401e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789527504516 (2.38879e-08% change) large trace change predicted (6.50385e-08%) linmin: converged after 9 iterations. iteration 1072: trace = 2.451789525909891 (6.50392e-08% change) linmin: converged after 3 iterations. iteration 1073: trace = 2.451789525135385 (3.15894e-08% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.451789524717338 (1.70507e-08% change) linmin: converged after 9 iterations. iteration 1075: trace = 2.451789524118881 (2.4409e-08% change) linmin: converged after 9 iterations. iteration 1076: trace = 2.451789523747809 (1.51347e-08% change) linmin: converged after 28 iterations. iteration 1077: trace = 2.451789523403682 (1.40358e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.451789522973627 (1.75404e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789522135468 (3.41856e-08% change) linmin: converged after 6 iterations. iteration 1080: trace = 2.451789521404868 (2.97986e-08% change) linmin: converged after 10 iterations. iteration 1081: trace = 2.451789520472709 (3.80195e-08% change) large trace change predicted (8.04058e-08%) linmin: converged after 7 iterations. iteration 1082: trace = 2.451789518501348 (8.0405e-08% change) linmin: converged after 2 iterations. iteration 1083: trace = 2.451789517822708 (2.76794e-08% change) large trace change predicted (5.94225e-08%) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789516365803 (5.94221e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789514886395 (6.03399e-08% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.451789513840043 (4.26771e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.451789512361514 (6.03041e-08% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.451789510120203 (9.14153e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789509586878 (2.17525e-08% change) large trace change predicted (4.46714e-08%) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789508491644 (4.46708e-08% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.451789507833981 (2.68238e-08% change) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789507554888 (1.13832e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.451789507161801 (1.60327e-08% change) linmin: converged after 3 iterations. iteration 1094: trace = 2.451789506798649 (1.48117e-08% change) linmin: converged after 2 iterations. iteration 1095: trace = 2.451789506329276 (1.91441e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789506109167 (8.97748e-09% change) large trace change predicted (4.59958e-08%) linmin: converged after 8 iterations. iteration 1097: trace = 2.451789504981427 (4.59966e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.45178950474344 (9.70666e-09% change) large trace change predicted (6.06069e-08%) linmin: converged after 19 iterations. iteration 1099: trace = 2.45178950325744 (6.06088e-08% change) linmin: converged after 20 iterations. iteration 1100: trace = 2.451789502095743 (4.73816e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.451789501405261 (2.81623e-08% change) large trace change predicted (6.9544e-08%) linmin: converged after 22 iterations. iteration 1102: trace = 2.451789499700134 (6.95462e-08% change) linmin: converged after 20 iterations. iteration 1103: trace = 2.451789497841726 (7.5798e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.451789497378323 (1.89006e-08% change) large trace change predicted (3.90832e-08%) linmin: converged after 4 iterations. iteration 1105: trace = 2.451789496420082 (3.90833e-08% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.451789495353078 (4.35194e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789494381687 (3.96197e-08% change) linmin: converged after 26 iterations. iteration 1108: trace = 2.45178949397928 (1.64128e-08% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.451789493224568 (3.07821e-08% change) linmin: converged after 3 iterations. iteration 1110: trace = 2.451789492080667 (4.66557e-08% change) linmin: converged after 7 iterations. iteration 1111: trace = 2.451789491803318 (1.13121e-08% change) large trace change predicted (3.89193e-08%) linmin: converged after 4 iterations. iteration 1112: trace = 2.451789490849095 (3.89195e-08% change) linmin: converged after 6 iterations. iteration 1113: trace = 2.451789490467708 (1.55555e-08% change) linmin: converged after 22 iterations. iteration 1114: trace = 2.451789489721389 (3.04397e-08% change) linmin: converged after 36 iterations. iteration 1115: trace = 2.451789489126382 (2.42683e-08% change) linmin: converged after 3 iterations. iteration 1116: trace = 2.451789488459372 (2.7205e-08% change) linmin: converged after 32 iterations. iteration 1117: trace = 2.451789488058363 (1.63558e-08% change) large trace change predicted (5.87847e-08%) linmin: converged after 3 iterations. iteration 1118: trace = 2.451789486617093 (5.87844e-08% change) large trace change predicted (1.4183e-07%) linmin: converged after 13 iterations. iteration 1119: trace = 2.451789483139668 (1.41832e-07% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1120: trace = 2.451789480630685 (1.02333e-07% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.451789478983771 (6.71719e-08% change) linmin: converged after 36 iterations. iteration 1122: trace = 2.451789478350402 (2.58329e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.451789477962928 (1.58037e-08% change) linmin: converged after 29 iterations. iteration 1124: trace = 2.451789477373786 (2.4029e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789476805078 (2.31957e-08% change) linmin: converged after 17 iterations. iteration 1126: trace = 2.45178947662315 (7.42022e-09% change) large trace change predicted (3.2743e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789475820365 (3.27428e-08% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.45178947564654 (7.08972e-09% change) large trace change predicted (3.14492e-08%) linmin: converged after 6 iterations. iteration 1129: trace = 2.451789474875475 (3.14491e-08% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.451789474248778 (2.55608e-08% change) linmin: converged after 13 iterations. iteration 1131: trace = 2.451789474036201 (8.67028e-09% change) large trace change predicted (3.17825e-08%) linmin: converged after 6 iterations. iteration 1132: trace = 2.451789473256964 (3.17824e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.451789472520535 (3.00364e-08% change) linmin: converged after 2 iterations. iteration 1134: trace = 2.451789471871875 (2.64566e-08% change) linmin: converged after 29 iterations. iteration 1135: trace = 2.451789471526069 (1.41042e-08% change) large trace change predicted (3.80841e-08%) linmin: converged after 3 iterations. iteration 1136: trace = 2.45178947059233 (3.8084e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.451789469664519 (3.78422e-08% change) linmin: converged after 11 iterations. iteration 1138: trace = 2.451789469091507 (2.33712e-08% change) linmin: converged after 6 iterations. iteration 1139: trace = 2.451789468374256 (2.92542e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.451789467590034 (3.19857e-08% change) linmin: converged after 3 iterations. iteration 1141: trace = 2.451789467339994 (1.01982e-08% change) large trace change predicted (2.61253e-08%) linmin: converged after 17 iterations. iteration 1142: trace = 2.45178946669946 (2.61252e-08% change) linmin: converged after 2 iterations. iteration 1143: trace = 2.451789466498957 (8.17785e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789466325133 (7.08966e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.451789466134469 (7.77652e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.451789465902062 (9.47908e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.451789465794777 (4.3758e-09% change) large trace change predicted (1.37995e-08%) linmin: converged after 5 iterations. iteration 1148: trace = 2.451789465456438 (1.37997e-08% change) linmin: converged after 22 iterations. iteration 1149: trace = 2.451789465165677 (1.18591e-08% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.451789464751201 (1.6905e-08% change) large trace change predicted (4.12834e-08%) linmin: converged after 20 iterations. iteration 1151: trace = 2.451789463738994 (4.12844e-08% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789463523387 (8.79385e-09% change) large trace change predicted (4.27125e-08%) linmin: converged after 7 iterations. iteration 1153: trace = 2.451789462476134 (4.27138e-08% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789461864873 (2.49312e-08% change) linmin: converged after 33 iterations. iteration 1155: trace = 2.451789461204659 (2.69278e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.451789460935516 (1.09774e-08% change) large trace change predicted (3.16184e-08%) linmin: converged after 16 iterations. iteration 1157: trace = 2.451789460160291 (3.16188e-08% change) linmin: converged after 26 iterations. iteration 1158: trace = 2.451789459934806 (9.19675e-09% change) large trace change predicted (1.87064e-08%) linmin: converged after 4 iterations. iteration 1159: trace = 2.451789459476167 (1.87063e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.451789459151386 (1.32467e-08% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.451789458887798 (1.07508e-08% change) linmin: converged after 16 iterations. iteration 1162: trace = 2.451789458797393 (3.68731e-09% change) linmin: converged after 2 iterations. iteration 1163: trace = 2.451789458716712 (3.29071e-09% change) large trace change predicted (8.21454e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.451789458515308 (8.21456e-09% change) linmin: converged after 28 iterations. iteration 1165: trace = 2.451789458457315 (2.36532e-09% change) large trace change predicted (1.35978e-08%) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789458123929 (1.35977e-08% change) linmin: converged after 2 iterations. iteration 1167: trace = 2.45178945783701 (1.17024e-08% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.451789457609028 (9.2986e-09% change) large trace change predicted (1.97294e-08%) linmin: converged after 7 iterations. iteration 1169: trace = 2.451789457125304 (1.97294e-08% change) linmin: converged after 6 iterations. iteration 1170: trace = 2.451789456375531 (3.05806e-08% change) linmin: converged after 25 iterations. iteration 1171: trace = 2.451789456195479 (7.34371e-09% change) large trace change predicted (2.14775e-08%) linmin: converged after 4 iterations. iteration 1172: trace = 2.451789455668895 (2.14775e-08% change) linmin: converged after 14 iterations. iteration 1173: trace = 2.451789455137738 (2.16641e-08% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.451789454982709 (6.32313e-09% change) large trace change predicted (1.54635e-08%) linmin: converged after 3 iterations. iteration 1175: trace = 2.451789454603575 (1.54635e-08% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.451789454303246 (1.22494e-08% change) linmin: converged after 21 iterations. iteration 1177: trace = 2.451789454212239 (3.71187e-09% change) large trace change predicted (8.45974e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.451789454004825 (8.4597e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.451789453753912 (1.02339e-08% change) linmin: converged after 18 iterations. iteration 1180: trace = 2.451789453664577 (3.64367e-09% change) large trace change predicted (9.73272e-09%) linmin: converged after 23 iterations. iteration 1181: trace = 2.451789453425953 (9.73266e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.451789453270331 (6.34725e-09% change) linmin: converged after 3 iterations. iteration 1183: trace = 2.451789453209195 (2.49353e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789453100968 (4.41423e-09% change) linmin: converged after 3 iterations. iteration 1185: trace = 2.45178945293042 (6.95604e-09% change) linmin: converged after 15 iterations. iteration 1186: trace = 2.451789452865569 (2.64506e-09% change) large trace change predicted (6.84024e-09%) linmin: converged after 2 iterations. iteration 1187: trace = 2.451789452697859 (6.84029e-09% change) linmin: converged after 17 iterations. iteration 1188: trace = 2.451789452451036 (1.00671e-08% change) linmin: converged after 5 iterations. iteration 1189: trace = 2.451789452391796 (2.41622e-09% change) resetting CG direction... linmin: converged after 18 iterations. iteration 1190: trace = 2.451789452334151 (2.35112e-09% change) large trace change predicted (9.16378e-09%) linmin: converged after 3 iterations. iteration 1191: trace = 2.451789452109475 (9.16375e-09% change) linmin: converged after 15 iterations. iteration 1192: trace = 2.451789451950074 (6.50145e-09% change) linmin: converged after 31 iterations. iteration 1193: trace = 2.451789451879825 (2.8652e-09% change) large trace change predicted (6.53685e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.451789451719554 (6.53691e-09% change) linmin: converged after 10 iterations. iteration 1195: trace = 2.45178945160773 (4.56089e-09% change) linmin: converged after 18 iterations. iteration 1196: trace = 2.451789451553128 (2.22703e-09% change) large trace change predicted (5.65989e-09%) linmin: converged after 26 iterations. iteration 1197: trace = 2.45178945141436 (5.65985e-09% change) linmin: converged after 19 iterations. iteration 1198: trace = 2.451789451241763 (7.03964e-09% change) linmin: converged after 4 iterations. iteration 1199: trace = 2.451789451126908 (4.68457e-09% change) large trace change predicted (9.36931e-09%) linmin: converged after 8 iterations. iteration 1200: trace = 2.45178945089719 (9.3694e-09% change) linmin: converged after 26 iterations. iteration 1201: trace = 2.451789450723077 (7.10144e-09% change) linmin: converged after 5 iterations. iteration 1202: trace = 2.451789450640961 (3.34923e-09% change) large trace change predicted (1.11309e-08%) linmin: converged after 4 iterations. iteration 1203: trace = 2.451789450368054 (1.1131e-08% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.45178945005646 (1.27088e-08% change) linmin: converged after 22 iterations. iteration 1205: trace = 2.451789449939653 (4.76417e-09% change) large trace change predicted (1.8365e-08%) linmin: converged after 10 iterations. iteration 1206: trace = 2.451789449489383 (1.83649e-08% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.451789449160268 (1.34235e-08% change) linmin: converged after 26 iterations. iteration 1208: trace = 2.451789449004344 (6.35961e-09% change) large trace change predicted (2.29834e-08%) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789448440838 (2.29835e-08% change) linmin: converged after 12 iterations. iteration 1210: trace = 2.45178944813881 (1.23187e-08% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.451789447946779 (7.83229e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789447651878 (1.2028e-08% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.451789447408313 (9.93416e-09% change) linmin: converged after 18 iterations. iteration 1214: trace = 2.45178944736742 (1.66789e-09% change) large trace change predicted (5.24522e-09%) linmin: converged after 15 iterations. iteration 1215: trace = 2.451789447238819 (5.24519e-09% change) linmin: converged after 19 iterations. iteration 1216: trace = 2.451789447156592 (3.35376e-09% change) linmin: converged after 26 iterations. iteration 1217: trace = 2.45178944711895 (1.5353e-09% change) large trace change predicted (6.89067e-09%) linmin: converged after 24 iterations. iteration 1218: trace = 2.451789446950006 (6.89064e-09% change) linmin: converged after 7 iterations. iteration 1219: trace = 2.451789446732954 (8.85277e-09% change) linmin: converged after 2 iterations. iteration 1220: trace = 2.451789446535058 (8.07151e-09% change) linmin: converged after 24 iterations. iteration 1221: trace = 2.451789446293877 (9.83693e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.451789445815967 (1.94923e-08% change) linmin: converged after 6 iterations. iteration 1223: trace = 2.451789445384576 (1.7595e-08% change) linmin: converged after 24 iterations. iteration 1224: trace = 2.451789445221217 (6.66282e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789444930302 (1.18654e-08% change) large trace change predicted (2.38292e-08%) linmin: converged after 9 iterations. iteration 1226: trace = 2.451789444346066 (2.3829e-08% change) linmin: converged after 24 iterations. iteration 1227: trace = 2.451789444229092 (4.77096e-09% change) large trace change predicted (2.11461e-08%) linmin: converged after 11 iterations. iteration 1228: trace = 2.451789443710641 (2.11458e-08% change) linmin: converged after 27 iterations. iteration 1229: trace = 2.451789443500719 (8.562e-09% change) linmin: converged after 12 iterations. iteration 1230: trace = 2.451789443342569 (6.45041e-09% change) linmin: converged after 20 iterations. iteration 1231: trace = 2.45178944317527 (6.82353e-09% change) linmin: converged after 3 iterations. iteration 1232: trace = 2.451789443052179 (5.02047e-09% change) linmin: converged after 3 iterations. iteration 1233: trace = 2.451789443001578 (2.06383e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.451789442926398 (3.06634e-09% change) linmin: converged after 2 iterations. iteration 1235: trace = 2.451789442781727 (5.90063e-09% change) linmin: converged after 36 iterations. iteration 1236: trace = 2.451789442737156 (1.81786e-09% change) large trace change predicted (1.20492e-08%) linmin: converged after 13 iterations. iteration 1237: trace = 2.451789442441735 (1.20492e-08% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789442200093 (9.85575e-09% change) linmin: converged after 23 iterations. iteration 1239: trace = 2.451789441987182 (8.6839e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.451789441667105 (1.30548e-08% change) linmin: converged after 7 iterations. iteration 1241: trace = 2.451789441241778 (1.73476e-08% change) linmin: converged after 13 iterations. iteration 1242: trace = 2.451789441091672 (6.12231e-09% change) large trace change predicted (1.68267e-08%) linmin: converged after 4 iterations. iteration 1243: trace = 2.451789440679111 (1.68269e-08% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789440433159 (1.00315e-08% change) linmin: converged after 21 iterations. iteration 1245: trace = 2.451789440332957 (4.0869e-09% change) large trace change predicted (1.06262e-08%) linmin: converged after 7 iterations. iteration 1246: trace = 2.451789440072424 (1.06262e-08% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.451789439816958 (1.04196e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.451789439638582 (7.27534e-09% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.451789439544426 (3.84027e-09% change) large trace change predicted (1.204e-08%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789439249227 (1.20402e-08% change) linmin: converged after 15 iterations. iteration 1251: trace = 2.451789439129806 (4.87078e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.451789438969213 (6.55003e-09% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.451789438735243 (9.5428e-09% change) linmin: converged after 2 iterations. iteration 1254: trace = 2.451789438648958 (3.51929e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.4517894385467 (4.17074e-09% change) large trace change predicted (9.20671e-09%) linmin: converged after 26 iterations. iteration 1256: trace = 2.45178943832097 (9.20673e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.451789438226698 (3.84503e-09% change) large trace change predicted (1.40748e-08%) linmin: converged after 4 iterations. iteration 1258: trace = 2.451789437881618 (1.40746e-08% change) large trace change predicted (1.02602e-07%) linmin: converged after 10 iterations. iteration 1259: trace = 2.451789435366005 (1.02603e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789433878098 (6.06866e-08% change) linmin: converged after 7 iterations. iteration 1261: trace = 2.451789433256536 (2.53514e-08% change) linmin: converged after 2 iterations. iteration 1262: trace = 2.451789433047301 (8.53395e-09% change) linmin: converged after 6 iterations. iteration 1263: trace = 2.451789432970581 (3.12916e-09% change) linmin: converged after 21 iterations. iteration 1264: trace = 2.451789432843702 (5.17495e-09% change) linmin: converged after 24 iterations. iteration 1265: trace = 2.451789432739367 (4.25545e-09% change) linmin: converged after 22 iterations. iteration 1266: trace = 2.451789432623807 (4.71331e-09% change) linmin: converged after 21 iterations. iteration 1267: trace = 2.451789432576843 (1.91547e-09% change) large trace change predicted (5.83693e-09%) linmin: converged after 4 iterations. iteration 1268: trace = 2.451789432433737 (5.83683e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789432391423 (1.72583e-09% change) large trace change predicted (5.45718e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.451789432257627 (5.45706e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.451789432155805 (4.15297e-09% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.451789432106585 (2.00752e-09% change) large trace change predicted (5.58408e-09%) linmin: converged after 9 iterations. iteration 1273: trace = 2.451789431969674 (5.58412e-09% change) linmin: converged after 21 iterations. iteration 1274: trace = 2.451789431830889 (5.66054e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789431776769 (2.2074e-09% change) large trace change predicted (6.62686e-09%) linmin: converged after 4 iterations. iteration 1276: trace = 2.451789431614293 (6.62681e-09% change) linmin: converged after 6 iterations. iteration 1277: trace = 2.451789431420385 (7.90887e-09% change) linmin: converged after 24 iterations. iteration 1278: trace = 2.451789431314295 (4.32702e-09% change) linmin: converged after 21 iterations. iteration 1279: trace = 2.451789431150426 (6.68365e-09% change) linmin: converged after 17 iterations. iteration 1280: trace = 2.451789431008692 (5.78085e-09% change) linmin: converged after 21 iterations. iteration 1281: trace = 2.451789430897196 (4.54754e-09% change) linmin: converged after 19 iterations. iteration 1282: trace = 2.451789430809749 (3.56668e-09% change) linmin: converged after 23 iterations. iteration 1283: trace = 2.451789430674089 (5.53308e-09% change) linmin: converged after 7 iterations. iteration 1284: trace = 2.451789430653522 (8.38843e-10% change) large trace change predicted (2.42467e-09%) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789430594074 (2.42468e-09% change) linmin: converged after 22 iterations. iteration 1286: trace = 2.451789430545888 (1.96535e-09% change) linmin: converged after 4 iterations. iteration 1287: trace = 2.451789430482413 (2.58893e-09% change) linmin: converged after 13 iterations. iteration 1288: trace = 2.451789430463206 (7.83399e-10% change) large trace change predicted (2.52053e-09%) linmin: converged after 26 iterations. iteration 1289: trace = 2.451789430401406 (2.5206e-09% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789430305257 (3.92158e-09% change) linmin: converged after 21 iterations. iteration 1291: trace = 2.451789430266636 (1.5752e-09% change) large trace change predicted (4.75857e-09%) linmin: converged after 3 iterations. iteration 1292: trace = 2.451789430149964 (4.75865e-09% change) linmin: converged after 27 iterations. iteration 1293: trace = 2.451789430024553 (5.11509e-09% change) linmin: converged after 12 iterations. iteration 1294: trace = 2.451789429962301 (2.53904e-09% change) linmin: converged after 4 iterations. iteration 1295: trace = 2.451789429845037 (4.78281e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.45178942967521 (6.92665e-09% change) linmin: converged after 22 iterations. iteration 1297: trace = 2.451789429603708 (2.91632e-09% change) large trace change predicted (8.59973e-09%) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789429392857 (8.5999e-09% change) linmin: converged after 31 iterations. iteration 1299: trace = 2.451789429256205 (5.57356e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789429222892 (1.35872e-09% change) linmin: converged after 5 iterations. iteration 1301: trace = 2.451789429170611 (2.13234e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789429130043 (1.65465e-09% change) linmin: converged after 17 iterations. iteration 1303: trace = 2.451789429119601 (4.25888e-10% change) large trace change predicted (1.07072e-09%) linmin: converged after 2 iterations. iteration 1304: trace = 2.45178942909335 (1.07067e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.451789429051677 (1.69973e-09% change) linmin: converged after 10 iterations. iteration 1306: trace = 2.451789429038133 (5.52406e-10% change) large trace change predicted (2.85414e-09%) linmin: converged after 4 iterations. iteration 1307: trace = 2.451789428968158 (2.85404e-09% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.451789428904058 (2.61439e-09% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.451789428839541 (2.63144e-09% change) linmin: converged after 7 iterations. iteration 1310: trace = 2.451789428783396 (2.28997e-09% change) large trace change predicted (6.34187e-09%) linmin: converged after 21 iterations. iteration 1311: trace = 2.451789428627906 (6.34187e-09% change) linmin: converged after 6 iterations. iteration 1312: trace = 2.451789428579326 (1.98142e-09% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.451789428516601 (2.55833e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.451789428410657 (4.32111e-09% change) linmin: converged after 5 iterations. iteration 1315: trace = 2.451789428382971 (1.12919e-09% change) large trace change predicted (3.50463e-09%) linmin: converged after 25 iterations. iteration 1316: trace = 2.451789428297045 (3.50462e-09% change) linmin: converged after 16 iterations. iteration 1317: trace = 2.451789428229989 (2.73497e-09% change) linmin: converged after 3 iterations. iteration 1318: trace = 2.451789428206863 (9.43263e-10% change) linmin: converged after 2 iterations. iteration 1319: trace = 2.451789428162945 (1.79124e-09% change) linmin: converged after 21 iterations. iteration 1320: trace = 2.451789428107597 (2.25748e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.451789428079873 (1.13075e-09% change) linmin: converged after 2 iterations. iteration 1322: trace = 2.451789428055299 (1.00229e-09% change) linmin: converged after 6 iterations. iteration 1323: trace = 2.45178942802734 (1.14033e-09% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.451789428007094 (8.25802e-10% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.451789427995403 (4.76821e-10% change) large trace change predicted (1.59393e-09%) linmin: converged after 9 iterations. iteration 1326: trace = 2.451789427956322 (1.59397e-09% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.451789427914213 (1.71748e-09% change) linmin: converged after 7 iterations. iteration 1328: trace = 2.451789427885572 (1.16819e-09% change) linmin: converged after 2 iterations. iteration 1329: trace = 2.451789427860202 (1.03473e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1330: trace = 2.451789427837171 (9.39369e-10% change) linmin: converged after 5 iterations. iteration 1331: trace = 2.451789427813297 (9.73747e-10% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.451789427779709 (1.36991e-09% change) linmin: converged after 6 iterations. iteration 1333: trace = 2.451789427758982 (8.45382e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.451789427739425 (7.9769e-10% change) linmin: converged after 18 iterations. iteration 1335: trace = 2.451789427713917 (1.04038e-09% change) linmin: converged after 16 iterations. iteration 1336: trace = 2.451789427699441 (5.90425e-10% change) linmin: converged after 20 iterations. iteration 1337: trace = 2.45178942767709 (9.11602e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.45178942763282 (1.80562e-09% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.451789427621961 (4.42896e-10% change) large trace change predicted (1.8204e-09%) linmin: converged after 7 iterations. iteration 1340: trace = 2.451789427577328 (1.82041e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789427541467 (1.46267e-09% change) linmin: converged after 11 iterations. iteration 1342: trace = 2.451789427520964 (8.36253e-10% change) large trace change predicted (1.73539e-09%) linmin: converged after 30 iterations. iteration 1343: trace = 2.451789427478416 (1.73539e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.451789427413101 (2.66395e-09% change) linmin: converged after 16 iterations. iteration 1345: trace = 2.45178942739219 (8.52898e-10% change) large trace change predicted (3.48547e-09%) linmin: converged after 21 iterations. iteration 1346: trace = 2.451789427306734 (3.48544e-09% change) linmin: converged after 18 iterations. iteration 1347: trace = 2.451789427233634 (2.9815e-09% change) linmin: converged after 8 iterations. iteration 1348: trace = 2.451789427203547 (1.22716e-09% change) large trace change predicted (4.76998e-09%) linmin: converged after 8 iterations. iteration 1349: trace = 2.451789427086593 (4.77013e-09% change) linmin: converged after 3 iterations. iteration 1350: trace = 2.451789427029377 (2.33366e-09% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.451789426949519 (3.25711e-09% change) linmin: converged after 11 iterations. iteration 1352: trace = 2.451789426938215 (4.61063e-10% change) large trace change predicted (1.99861e-09%) linmin: converged after 20 iterations. iteration 1353: trace = 2.451789426889213 (1.99863e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.451789426874615 (5.95406e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.451789426861922 (5.17684e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.451789426839075 (9.3187e-10% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.451789426822449 (6.78109e-10% change) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789426800897 (8.79035e-10% change) large trace change predicted (1.82979e-09%) linmin: converged after 16 iterations. iteration 1359: trace = 2.451789426756036 (1.82972e-09% change) linmin: converged after 22 iterations. iteration 1360: trace = 2.451789426687717 (2.78648e-09% change) linmin: converged after 20 iterations. iteration 1361: trace = 2.451789426665331 (9.13033e-10% change) large trace change predicted (3.55266e-09%) linmin: converged after 4 iterations. iteration 1362: trace = 2.451789426578227 (3.55269e-09% change) linmin: converged after 16 iterations. iteration 1363: trace = 2.451789426483567 (3.86085e-09% change) linmin: converged after 7 iterations. iteration 1364: trace = 2.451789426448853 (1.41586e-09% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.451789426396778 (2.12395e-09% change) large trace change predicted (4.86206e-09%) linmin: converged after 4 iterations. iteration 1366: trace = 2.451789426277574 (4.86193e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.45178942617991 (3.98336e-09% change) linmin: converged after 13 iterations. iteration 1368: trace = 2.451789426157195 (9.26473e-10% change) large trace change predicted (2.34013e-09%) linmin: converged after 21 iterations. iteration 1369: trace = 2.451789426099818 (2.3402e-09% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.45178942606264 (1.51637e-09% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.451789426053544 (3.70988e-10% change) large trace change predicted (8.90213e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.451789426031716 (8.90283e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789426013754 (7.32629e-10% change) linmin: converged after 4 iterations. iteration 1374: trace = 2.451789426007426 (2.5809e-10% change) large trace change predicted (1.31908e-09%) linmin: converged after 4 iterations. iteration 1375: trace = 2.451789425975084 (1.31911e-09% change) linmin: converged after 22 iterations. iteration 1376: trace = 2.451789425925529 (2.02118e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789425903246 (9.08867e-10% change) large trace change predicted (2.20418e-09%) linmin: converged after 6 iterations. iteration 1378: trace = 2.451789425849205 (2.20415e-09% change) linmin: converged after 2 iterations. iteration 1379: trace = 2.451789425776035 (2.98435e-09% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.45178942575533 (8.44476e-10% change) large trace change predicted (4.19777e-09%) linmin: converged after 5 iterations. iteration 1381: trace = 2.451789425652413 (4.19762e-09% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.451789425595878 (2.30586e-09% change) linmin: converged after 11 iterations. iteration 1383: trace = 2.451789425563314 (1.3282e-09% change) linmin: converged after 8 iterations. iteration 1384: trace = 2.451789425505613 (2.35342e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789425453373 (2.13069e-09% change) linmin: converged after 6 iterations. iteration 1386: trace = 2.451789425436828 (6.74795e-10% change) large trace change predicted (2.05032e-09%) linmin: converged after 18 iterations. iteration 1387: trace = 2.451789425386556 (2.05045e-09% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.451789425349372 (1.51657e-09% change) linmin: converged after 15 iterations. iteration 1389: trace = 2.451789425332057 (7.06239e-10% change) large trace change predicted (2.23419e-09%) linmin: converged after 6 iterations. iteration 1390: trace = 2.451789425277283 (2.23404e-09% change) linmin: converged after 15 iterations. iteration 1391: trace = 2.451789425231565 (1.86466e-09% change) linmin: converged after 2 iterations. iteration 1392: trace = 2.451789425218463 (5.34384e-10% change) large trace change predicted (1.21945e-09%) linmin: converged after 9 iterations. iteration 1393: trace = 2.451789425188565 (1.21945e-09% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.451789425157625 (1.26192e-09% change) linmin: converged after 13 iterations. iteration 1395: trace = 2.451789425138586 (7.76535e-10% change) large trace change predicted (1.64594e-09%) linmin: converged after 4 iterations. iteration 1396: trace = 2.451789425098232 (1.64592e-09% change) linmin: converged after 20 iterations. iteration 1397: trace = 2.451789425038035 (2.45523e-09% change) linmin: converged after 26 iterations. iteration 1398: trace = 2.45178942495501 (3.38631e-09% change) large trace change predicted (1.41341e-08%) linmin: converged after 28 iterations. iteration 1399: trace = 2.451789424608471 (1.41341e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.451789424330125 (1.13528e-08% change) linmin: converged after 2 iterations. iteration 1401: trace = 2.451789424273012 (2.32944e-09% change) linmin: converged after 18 iterations. iteration 1402: trace = 2.45178942422672 (1.88812e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.451789424185634 (1.67575e-09% change) linmin: converged after 18 iterations. iteration 1404: trace = 2.451789424171285 (5.85245e-10% change) linmin: converged after 13 iterations. iteration 1405: trace = 2.451789424147403 (9.74073e-10% change) linmin: converged after 8 iterations. iteration 1406: trace = 2.451789424122435 (1.01836e-09% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.451789424114636 (3.18098e-10% change) large trace change predicted (1.24764e-09%) linmin: converged after 4 iterations. iteration 1408: trace = 2.451789424084049 (1.24751e-09% change) linmin: converged after 6 iterations. iteration 1409: trace = 2.451789424059581 (9.98001e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789424047643 (4.86892e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.451789424031571 (6.55504e-10% change) linmin: converged after 19 iterations. iteration 1412: trace = 2.451789424001313 (1.23416e-09% change) linmin: converged after 10 iterations. iteration 1413: trace = 2.451789423991946 (3.82018e-10% change) large trace change predicted (1.3122e-09%) linmin: converged after 4 iterations. iteration 1414: trace = 2.451789423959771 (1.31231e-09% change) linmin: converged after 4 iterations. iteration 1415: trace = 2.451789423924466 (1.43999e-09% change) linmin: converged after 15 iterations. iteration 1416: trace = 2.45178942391048 (5.70428e-10% change) large trace change predicted (1.56491e-09%) linmin: converged after 5 iterations. iteration 1417: trace = 2.451789423872111 (1.56495e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.451789423828485 (1.77934e-09% change) linmin: converged after 20 iterations. iteration 1419: trace = 2.451789423814215 (5.82039e-10% change) linmin: converged after 21 iterations. iteration 1420: trace = 2.451789423792063 (9.03506e-10% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.451789423752354 (1.61956e-09% change) linmin: converged after 4 iterations. iteration 1422: trace = 2.451789423742226 (4.131e-10% change) large trace change predicted (1.0001e-09%) linmin: converged after 19 iterations. iteration 1423: trace = 2.451789423717707 (1.00005e-09% change) linmin: converged after 8 iterations. iteration 1424: trace = 2.451789423706942 (4.39074e-10% change) linmin: converged after 17 iterations. iteration 1425: trace = 2.451789423700462 (2.64285e-10% change) linmin: converged after 18 iterations. iteration 1426: trace = 2.451789423689513 (4.46554e-10% change) linmin: converged after 13 iterations. iteration 1427: trace = 2.451789423673482 (6.53856e-10% change) linmin: converged after 6 iterations. iteration 1428: trace = 2.451789423669334 (1.6921e-10% change) large trace change predicted (4.72408e-10%) linmin: converged after 4 iterations. iteration 1429: trace = 2.451789423657752 (4.72383e-10% change) linmin: converged after 5 iterations. iteration 1430: trace = 2.451789423642428 (6.24984e-10% change) linmin: converged after 10 iterations. iteration 1431: trace = 2.451789423630924 (4.69232e-10% change) linmin: converged after 14 iterations. iteration 1432: trace = 2.451789423615611 (6.2455e-10% change) linmin: converged after 2 iterations. iteration 1433: trace = 2.451789423588781 (1.09432e-09% change) linmin: converged after 4 iterations. iteration 1434: trace = 2.451789423564947 (9.72099e-10% change) linmin: converged after 6 iterations. iteration 1435: trace = 2.451789423526965 (1.54914e-09% change) linmin: converged after 17 iterations. iteration 1436: trace = 2.451789423512263 (5.99644e-10% change) large trace change predicted (2.27356e-09%) linmin: converged after 5 iterations. iteration 1437: trace = 2.451789423456522 (2.27349e-09% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.451789423435572 (8.54492e-10% change) linmin: converged after 23 iterations. iteration 1439: trace = 2.451789423416287 (7.86551e-10% change) linmin: converged after 11 iterations. iteration 1440: trace = 2.451789423403261 (5.31305e-10% change) linmin: converged after 6 iterations. iteration 1441: trace = 2.451789423395268 (3.25977e-10% change) linmin: converged after 3 iterations. iteration 1442: trace = 2.451789423391876 (1.38364e-10% change) linmin: converged after 6 iterations. iteration 1443: trace = 2.45178942338634 (2.25777e-10% change) linmin: converged after 2 iterations. iteration 1444: trace = 2.45178942338033 (2.45139e-10% change) linmin: converged after 3 iterations. iteration 1445: trace = 2.451789423375478 (1.97901e-10% change) large trace change predicted (6.00098e-10%) linmin: converged after 14 iterations. iteration 1446: trace = 2.451789423360763 (6.0017e-10% change) linmin: converged after 3 iterations. iteration 1447: trace = 2.45178942335683 (1.60426e-10% change) large trace change predicted (4.48501e-10%) linmin: converged after 15 iterations. iteration 1448: trace = 2.451789423345835 (4.4842e-10% change) linmin: converged after 6 iterations. iteration 1449: trace = 2.45178942332878 (6.95643e-10% change) linmin: converged after 9 iterations. iteration 1450: trace = 2.451789423320378 (3.42677e-10% change) large trace change predicted (1.0177e-09%) linmin: converged after 4 iterations. iteration 1451: trace = 2.45178942329543 (1.01754e-09% change) linmin: converged after 3 iterations. iteration 1452: trace = 2.451789423276987 (7.52245e-10% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.451789423268175 (3.59414e-10% change) large trace change predicted (8.42111e-10%) linmin: converged after 9 iterations. iteration 1454: trace = 2.451789423247528 (8.42103e-10% change) linmin: converged after 16 iterations. iteration 1455: trace = 2.451789423223894 (9.6393e-10% change) linmin: converged after 12 iterations. iteration 1456: trace = 2.451789423208913 (6.11037e-10% change) linmin: converged after 8 iterations. iteration 1457: trace = 2.451789423202641 (2.55826e-10% change) linmin: converged after 10 iterations. iteration 1458: trace = 2.451789423192569 (4.108e-10% change) linmin: converged after 7 iterations. iteration 1459: trace = 2.451789423181072 (4.68924e-10% change) linmin: converged after 15 iterations. iteration 1460: trace = 2.451789423178502 (1.04801e-10% change) large trace change predicted (3.50148e-10%) linmin: converged after 6 iterations. iteration 1461: trace = 2.451789423169914 (3.50267e-10% change) linmin: converged after 16 iterations. iteration 1462: trace = 2.451789423164941 (2.02846e-10% change) linmin: converged after 17 iterations. iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) Finished solving for bands 1 to 10 after 1463 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: 11.062754392623901 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836223782001 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710721454537 (0.719331% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945406997686 (0.6299% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433574138305 (0.140857% change) large trace change predicted (0.375525%) linmin: converged after 10 iterations. iteration 5: trace = 2.481386186433904 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821681916148 (0.103403% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784112846906 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421556558818 (0.0954721% change) linmin: converged after 4 iterations. iteration 9: trace = 2.47247156210758 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069106423442 (0.0567389% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689347126524 (0.0153694% change) large trace change predicted (0.0415687%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653327122731 (0.0419412% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044099555911 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577470692296 (0.018901% change) linmin: converged after 3 iterations. iteration 15: trace = 2.467728690942992 (0.0343893% change) linmin: converged after 3 iterations. iteration 16: trace = 2.46745300556574 (0.0111722% change) large trace change predicted (0.040824%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432221684716 (0.0413785% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143780684861 (0.0116953% change) linmin: converged after 3 iterations. iteration 19: trace = 2.465689795665475 (0.0184104% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064631640342 (0.0253577% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844089931834 (0.00894709% change) large trace change predicted (0.0298112%) linmin: converged after 5 iterations. iteration 22: trace = 2.464107085009973 (0.0299051% change) linmin: converged after 4 iterations. iteration 23: trace = 2.463924808079277 (0.00739755% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417662980171 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917884177778 (0.0202901% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692763668878 (0.00914082% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.4620093727337 (0.0277536% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750403472557 (0.0105192% change) large trace change predicted (0.0224547%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203412627468 (0.0222221% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687193110629 (0.0209765% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471923393098 (0.00874874% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.459844983792497 (0.0254837% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427602421306 (0.0169692% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157446319106 (0.0109851% change) large trace change predicted (0.0241643%) linmin: converged after 5 iterations. iteration 35: trace = 2.458586737331902 (0.0232102% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222225323346 (0.0148272% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860085379453 (0.0147329% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513773299919 (0.014091% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457345537405587 (0.00684601% change) linmin: converged after 6 iterations. iteration 40: trace = 2.45703034207314 (0.0128275% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456937176544063 (0.00379187% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770809803269 (0.00677154% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644867623719 (0.00512646% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574907473046 (0.00284783% change) large trace change predicted (0.00678889%) linmin: converged after 4 iterations. iteration 45: trace = 2.45640989898521 (0.00671724% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322333503604 (0.00356484% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238010855364 (0.00343294% change) linmin: converged after 5 iterations. iteration 48: trace = 2.456190495724837 (0.00193449% change) large trace change predicted (0.00555259%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054376501079 (0.00554204% change) linmin: converged after 10 iterations. iteration 50: trace = 2.456008476736466 (0.00186886% change) large trace change predicted (0.00438779%) linmin: converged after 3 iterations. iteration 51: trace = 2.455900532670498 (0.0043952% change) linmin: converged after 4 iterations. iteration 52: trace = 2.455832272134057 (0.00277949% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712405685762 (0.00488101% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665064720349 (0.00192781% change) large trace change predicted (0.00469267%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549299739854 (0.00471431% change) linmin: converged after 8 iterations. iteration 56: trace = 2.455472788491667 (0.0031159% change) linmin: converged after 3 iterations. iteration 57: trace = 2.45535529713201 (0.00478499% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455240382596921 (0.00468027% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056695397887 (0.00748171% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878903542058 (0.00724213% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746685563653 (0.00538607% change) linmin: converged after 4 iterations. iteration 62: trace = 2.454558719119076 (0.00765756% change) linmin: converged after 5 iterations. iteration 63: trace = 2.454456214757973 (0.00417617% change) large trace change predicted (0.0093065%) linmin: converged after 4 iterations. iteration 64: trace = 2.454226050106184 (0.00937786% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124993638424 (0.00411774% change) linmin: converged after 3 iterations. iteration 66: trace = 2.453937947114079 (0.00762201% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808924524141 (0.00525792% change) linmin: converged after 5 iterations. iteration 68: trace = 2.453622752439474 (0.00758735% change) linmin: converged after 8 iterations. iteration 69: trace = 2.453502290651681 (0.00490967% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453443032160796 (0.00241529% change) large trace change predicted (0.00624621%) linmin: converged after 10 iterations. iteration 71: trace = 2.453289852552315 (0.00624365% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139627224052 (0.00612361% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047589137037 (0.00375192% change) large trace change predicted (0.00966943%) linmin: converged after 4 iterations. iteration 74: trace = 2.452811120127543 (0.00964027% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613550181715 (0.00805516% change) linmin: converged after 12 iterations. iteration 76: trace = 2.452556513243382 (0.00232558% change) large trace change predicted (0.00551969%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421751157438 (0.00549491% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338171908109 (0.00340809% change) linmin: converged after 3 iterations. iteration 79: trace = 2.452304528611742 (0.0013719% change) large trace change predicted (0.00452318%) linmin: converged after 7 iterations. iteration 80: trace = 2.452193711038556 (0.00451902% change) linmin: converged after 3 iterations. iteration 81: trace = 2.45208375148069 (0.00448423% change) linmin: converged after 5 iterations. iteration 82: trace = 2.452050074217855 (0.00137342% change) large trace change predicted (0.00426051%) linmin: converged after 3 iterations. iteration 83: trace = 2.451945262619128 (0.00427454% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451876310389238 (0.00281218% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838832456642 (0.00152855% change) large trace change predicted (0.00517283%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711427988326 (0.00519642% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670646216947 (0.00166341% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615519044859 (0.00224858% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565621590008 (0.00203531% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451543027522145 (0.000921622% change) large trace change predicted (0.00192522%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495728261631 (0.00192939% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437605040677 (0.00237096% change) linmin: converged after 4 iterations. iteration 93: trace = 2.451416673918753 (0.000853834% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379894691538 (0.00150034% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451331042382565 (0.00199287% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320221847723 (0.000441416% change) large trace change predicted (0.00157851%) linmin: converged after 4 iterations. iteration 97: trace = 2.451281413782899 (0.00158316% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451252091299369 (0.00119622% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242581911746 (0.000387941% change) large trace change predicted (0.00130295%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210624800765 (0.00130372% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185412647113 (0.00102856% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451169674858531 (0.00064205% change) large trace change predicted (0.00233933%) linmin: converged after 5 iterations. iteration 103: trace = 2.451112375676283 (0.00233765% change) linmin: converged after 5 iterations. iteration 104: trace = 2.451069764357206 (0.00173846% change) linmin: converged after 3 iterations. iteration 105: trace = 2.451014350329364 (0.00226084% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936365136954 (0.0031818% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891633901529 (0.00182508% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830588419405 (0.00249078% change) linmin: converged after 4 iterations. iteration 109: trace = 2.450789777787804 (0.00166519% change) linmin: converged after 4 iterations. iteration 110: trace = 2.450776845576188 (0.000527677% change) large trace change predicted (0.0011851%) linmin: converged after 3 iterations. iteration 111: trace = 2.450747795704801 (0.00118534% change) linmin: converged after 3 iterations. iteration 112: trace = 2.45070867046777 (0.00159647% change) linmin: converged after 4 iterations. iteration 113: trace = 2.450695835826789 (0.000523713% change) large trace change predicted (0.00227204%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640084149246 (0.00227496% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616935395414 (0.000944605% change) linmin: converged after 9 iterations. iteration 116: trace = 2.45059690168018 (0.0008175% change) linmin: converged after 4 iterations. iteration 117: trace = 2.450567708239303 (0.00119129% change) linmin: converged after 10 iterations. iteration 118: trace = 2.450560050181016 (0.000312502% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544723924295 (0.00062542% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450518156850831 (0.00108414% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508153452435 (0.000408216% change) large trace change predicted (0.00138829%) linmin: converged after 7 iterations. iteration 122: trace = 2.450474160996835 (0.00138717% change) linmin: converged after 5 iterations. iteration 123: trace = 2.450413549363673 (0.0024735% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399865463202 (0.000558434% change) large trace change predicted (0.00263932%) linmin: converged after 5 iterations. iteration 125: trace = 2.450335324898945 (0.00263391% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316241452061 (0.000778813% change) large trace change predicted (0.00253213%) linmin: converged after 4 iterations. iteration 127: trace = 2.45025425553424 (0.00252974% change) linmin: converged after 5 iterations. iteration 128: trace = 2.450208223330985 (0.00187869% change) linmin: converged after 6 iterations. iteration 129: trace = 2.450190012010325 (0.000743259% change) large trace change predicted (0.00218248%) linmin: converged after 6 iterations. iteration 130: trace = 2.450136625348235 (0.0021789% change) linmin: converged after 3 iterations. iteration 131: trace = 2.45007660677115 (0.00244963% change) linmin: converged after 5 iterations. iteration 132: trace = 2.450058966325326 (0.000719998% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024373740196 (0.00141192% change) linmin: converged after 7 iterations. iteration 134: trace = 2.449978667631108 (0.00186555% change) linmin: converged after 5 iterations. iteration 135: trace = 2.449968895169002 (0.00039888% change) large trace change predicted (0.00120772%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939300285809 (0.00120798% change) linmin: converged after 5 iterations. iteration 137: trace = 2.449919722834263 (0.000799103% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912947473968 (0.000276555% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900616488089 (0.000503325% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894928085868 (0.000232189% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892297164892 (0.000107389% change) large trace change predicted (0.000347819%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883775175338 (0.000347852% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876756247481 (0.000286501% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449872120281262 (0.000189233% change) large trace change predicted (0.000699813%) linmin: converged after 3 iterations. iteration 145: trace = 2.449854947385739 (0.000700974% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848346406646 (0.000269444% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839794164459 (0.000349093% change) linmin: converged after 3 iterations. iteration 148: trace = 2.44982675320189 (0.00053232% change) linmin: converged after 3 iterations. iteration 149: trace = 2.44982009809765 (0.000271656% change) linmin: converged after 5 iterations. iteration 150: trace = 2.449813599191857 (0.000265281% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804672061759 (0.000364401% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797710245926 (0.000284179% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789793231324 (0.000323171% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775125541931 (0.000598734% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449771197568826 (0.00016034% change) large trace change predicted (0.00043704%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760491406805 (0.000437028% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754538208532 (0.000243012% change) linmin: converged after 4 iterations. iteration 158: trace = 2.44975190290616 (0.000107574% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747997430265 (0.000159423% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743927761397 (0.000166126% change) linmin: converged after 8 iterations. iteration 161: trace = 2.449742718999893 (4.93424e-05% change) large trace change predicted (0.000191012%) linmin: converged after 3 iterations. iteration 162: trace = 2.449738039373347 (0.000191025% change) linmin: converged after 3 iterations. iteration 163: trace = 2.44973159509182 (0.00026306% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729576492104 (8.24009e-05% change) large trace change predicted (0.000358109%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720797798945 (0.000358354% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449714042868065 (0.000275743% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711750524444 (9.3576e-05% change) large trace change predicted (0.000277937%) linmin: converged after 3 iterations. iteration 168: trace = 2.44970493912474 (0.000278049% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697452299737 (0.000305622% change) linmin: converged after 4 iterations. iteration 170: trace = 2.449695298508223 (8.79208e-05% change) large trace change predicted (0.000350526%) linmin: converged after 5 iterations. iteration 171: trace = 2.44968670212081 (0.000350917% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677776996352 (0.000364338% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674469734727 (0.000135008% change) large trace change predicted (0.000279896%) linmin: converged after 4 iterations. iteration 174: trace = 2.44966760675598 (0.000280159% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449659910863249 (0.000314161% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657742566564 (8.85142e-05% change) large trace change predicted (0.000235374%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651976958328 (0.000235364% change) linmin: converged after 5 iterations. iteration 178: trace = 2.449647863086536 (0.000167937% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645899921092 (8.01408e-05% change) large trace change predicted (0.000191846%) linmin: converged after 3 iterations. iteration 180: trace = 2.449641202496829 (0.00019176% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636735161266 (0.000182367% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634470661315 (9.24423e-05% change) large trace change predicted (0.000270107%) linmin: converged after 5 iterations. iteration 183: trace = 2.449627871274931 (0.000269403% change) linmin: converged after 4 iterations. iteration 184: trace = 2.449623554131188 (0.000176237% change) linmin: converged after 4 iterations. iteration 185: trace = 2.449620056907789 (0.000142766% change) large trace change predicted (0.000335748%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611849363315 (0.000335054% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608040109787 (0.000155504% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605467155713 (0.000105035% change) large trace change predicted (0.000303699%) linmin: converged after 4 iterations. iteration 189: trace = 2.449598032848582 (0.00030349% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593219874764 (0.00019648% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588354301449 (0.000198628% change) large trace change predicted (0.000570807%) linmin: converged after 4 iterations. iteration 192: trace = 2.449574368305194 (0.000570955% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571037661758 (0.000135968% change) large trace change predicted (0.000443751%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560154441408 (0.000444292% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553072147829 (0.000289126% change) linmin: converged after 4 iterations. iteration 196: trace = 2.449550235492469 (0.000115803% change) linmin: converged after 5 iterations. iteration 197: trace = 2.4495459453966 (0.000175138% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540040244491 (0.000241072% change) linmin: converged after 4 iterations. iteration 199: trace = 2.449538438544594 (6.53878e-05% change) large trace change predicted (0.000254687%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532193103362 (0.000254964% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527758252526 (0.000181049% change) linmin: converged after 4 iterations. iteration 202: trace = 2.449524350155484 (0.000139133% change) large trace change predicted (0.000355804%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515628717529 (0.000356047% change) linmin: converged after 3 iterations. iteration 204: trace = 2.44950434102122 (0.000460814% change) linmin: converged after 5 iterations. iteration 205: trace = 2.449499987722562 (0.000177722% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492604326722 (0.000301425% change) linmin: converged after 4 iterations. iteration 207: trace = 2.44948359743051 (0.000367705% change) linmin: converged after 4 iterations. iteration 208: trace = 2.449477982953384 (0.000229211% change) large trace change predicted (0.000702352%) linmin: converged after 12 iterations. iteration 209: trace = 2.449460783306508 (0.000702178% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449456833401014 (0.000161256% change) linmin: converged after 3 iterations. iteration 211: trace = 2.44945356137018 (0.000133582% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449447706901437 (0.000239012% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449445022868559 (0.000109577% change) linmin: converged after 4 iterations. iteration 214: trace = 2.449441809454352 (0.00013119% change) linmin: converged after 3 iterations. iteration 215: trace = 2.449436494333873 (0.000216993% change) linmin: converged after 4 iterations. iteration 216: trace = 2.449435634144355 (3.51179e-05% change) large trace change predicted (0.000115454%) linmin: converged after 7 iterations. iteration 217: trace = 2.449432806490806 (0.000115441% change) linmin: converged after 5 iterations. iteration 218: trace = 2.449430943565843 (7.60554e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430283245927 (2.69581e-05% change) large trace change predicted (7.00848e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.4494285668072 (7.0075e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426521749749 (8.34912e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.449425564425491 (3.90836e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.449424332606356 (5.02901e-05% change) large trace change predicted (0.000110628%) linmin: converged after 4 iterations. iteration 224: trace = 2.449421624089753 (0.000110578% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449420972287295 (2.66105e-05% change) large trace change predicted (0.000117549%) linmin: converged after 3 iterations. iteration 226: trace = 2.44941809362175 (0.000117524% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449415830015894 (9.24141e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449414718488296 (4.53793e-05% change) large trace change predicted (0.000115058%) linmin: converged after 4 iterations. iteration 229: trace = 2.44941189853066 (0.000115128% change) linmin: converged after 3 iterations. iteration 230: trace = 2.44940933423477 (0.00010469% change) linmin: converged after 3 iterations. iteration 231: trace = 2.449408340684099 (4.05629e-05% change) large trace change predicted (8.16384e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.449406340469369 (8.16612e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405028464091 (5.35642e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404092537489 (3.82104e-05% change) large trace change predicted (8.28283e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.44940206187908 (8.29042e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449399970633329 (8.53778e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.449399438628353 (2.17198e-05% change) large trace change predicted (4.51547e-05%) linmin: converged after 5 iterations. iteration 238: trace = 2.449398332309524 (4.5167e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397249574377 (4.42041e-05% change) linmin: converged after 17 iterations. iteration 240: trace = 2.449396918889177 (1.35007e-05% change) large trace change predicted (4.03617e-05%) linmin: converged after 4 iterations. iteration 241: trace = 2.449395930071235 (4.03699e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.449395427205492 (2.05302e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.449394631572639 (3.24828e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.449393535117366 (4.47643e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449392892400704 (2.62398e-05% change) large trace change predicted (5.28152e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391598931955 (5.28077e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.449389530665272 (8.44401e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.449389083026784 (1.82755e-05% change) large trace change predicted (4.96657e-05%) linmin: converged after 3 iterations. iteration 249: trace = 2.449387866663815 (4.96599e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 2.449386564837664 (5.31491e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.449385904981976 (2.69396e-05% change) large trace change predicted (6.63516e-05%) linmin: converged after 4 iterations. iteration 252: trace = 2.449384280072972 (6.63395e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449382919473211 (5.55487e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.44938248846367 (1.75967e-05% change) large trace change predicted (3.57597e-05%) linmin: converged after 3 iterations. iteration 255: trace = 2.449381612567119 (3.57599e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380478365786 (4.63056e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.44938005351113 (1.73454e-05% change) large trace change predicted (4.27343e-05%) linmin: converged after 8 iterations. iteration 258: trace = 2.449379006781027 (4.27345e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378058758882 (3.87046e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.44937765001109 (1.66878e-05% change) linmin: converged after 7 iterations. iteration 261: trace = 2.449376845670606 (3.28386e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.449375720676586 (4.59298e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.449375362732151 (1.46137e-05% change) large trace change predicted (6.46068e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373780814214 (6.45846e-05% change) linmin: converged after 6 iterations. iteration 265: trace = 2.449372755734355 (4.18507e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371792432491 (3.93285e-05% change) large trace change predicted (8.58709e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.449369690449359 (8.58173e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449368874852692 (3.32982e-05% change) linmin: converged after 9 iterations. iteration 269: trace = 2.449367793256231 (4.41582e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366630582098 (4.74683e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366243658539 (1.57969e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.44936563589116 (2.48133e-05% change) large trace change predicted (5.39394e-05%) linmin: converged after 4 iterations. iteration 273: trace = 2.449364314802962 (5.39359e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.449363950319062 (1.48808e-05% change) large trace change predicted (4.77899e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.44936277967462 (4.77938e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.449361829792793 (3.87808e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.449361467655149 (1.4785e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.449360860224534 (2.47996e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.449360329464341 (2.16693e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.449360193325828 (5.55813e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.44935994618302 (1.00901e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.449359517939592 (1.74839e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.449359305809744 (8.66063e-06% change) large trace change predicted (2.59609e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.449358669905291 (2.59621e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.449357632577434 (4.2351e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.449357341680221 (1.18765e-05% change) large trace change predicted (3.95153e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.449356373621772 (3.9523e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449355959338408 (1.6914e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.44935569552776 (1.07706e-05% change) large trace change predicted (3.00168e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449354960250441 (3.00192e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.449354411930939 (2.23863e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353722148272 (2.81618e-05% change) linmin: converged after 4 iterations. iteration 293: trace = 2.449352721232571 (4.08645e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.449351915117644 (3.29114e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351557043779 (1.46191e-05% change) large trace change predicted (3.86143e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350611060736 (3.86218e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.449350207537366 (1.64747e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.449349864380816 (1.40101e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349481121152 (1.56474e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.449349187572277 (1.19848e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348824996862 (1.48029e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.449348207170472 (2.52241e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347842976861 (1.4869e-05% change) linmin: converged after 10 iterations. iteration 304: trace = 2.449347307150961 (2.18763e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.449346702238563 (2.46969e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.449346058070105 (2.62996e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.449345847039887 (8.61578e-06% change) large trace change predicted (3.02896e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.449345104999269 (3.02955e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.449344654488271 (1.83931e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.449344396125454 (1.05482e-05% change) large trace change predicted (2.61846e-05%) linmin: converged after 4 iterations. iteration 311: trace = 2.449343754628772 (2.61905e-05% change) linmin: converged after 5 iterations. iteration 312: trace = 2.449343060104885 (2.83555e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342746894462 (1.27875e-05% change) large trace change predicted (3.15839e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449341973236189 (3.15864e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.449341668470169 (1.24428e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341323890793 (1.40682e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.449340724041253 (2.44902e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340627848021 (3.92731e-06% change) large trace change predicted (1.54826e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.449340248658823 (1.54813e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339906894235 (1.39533e-05% change) linmin: converged after 12 iterations. iteration 321: trace = 2.44933971144219 (7.97978e-06% change) large trace change predicted (1.99027e-05%) linmin: converged after 5 iterations. iteration 322: trace = 2.449339224131502 (1.98956e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.449338376540003 (3.46049e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.449338127844788 (1.01536e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.44933764652807 (1.96509e-05% change) linmin: converged after 5 iterations. iteration 326: trace = 2.449336972861738 (2.7504e-05% change) linmin: converged after 3 iterations. iteration 327: trace = 2.449336737184612 (9.62208e-06% change) large trace change predicted (2.5633e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.449336109518837 (2.5626e-05% change) linmin: converged after 6 iterations. iteration 329: trace = 2.449334963984735 (4.67692e-05% change) linmin: converged after 5 iterations. iteration 330: trace = 2.44933466764013 (1.2099e-05% change) large trace change predicted (4.6207e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.44933353585055 (4.62081e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332528715524 (4.11187e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.44933215481141 (1.52656e-05% change) large trace change predicted (3.17647e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.44933137674793 (3.17664e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.449330585861198 (3.22899e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330374173485 (8.64268e-06% change) linmin: converged after 5 iterations. iteration 337: trace = 2.449330012869878 (1.47511e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.449329486830409 (2.14769e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.449329323158688 (6.68231e-06% change) large trace change predicted (1.97878e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328838430115 (1.97903e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328336325411 (2.04997e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328094843118 (9.85912e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932761440938 (1.96149e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.449326676215543 (3.83041e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.44932626318696 (1.68629e-05% change) large trace change predicted (3.78492e-05%) linmin: converged after 5 iterations. iteration 346: trace = 2.44932533598196 (3.78555e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324546731702 (3.22232e-05% change) linmin: converged after 4 iterations. iteration 348: trace = 2.449324227406307 (1.30373e-05% change) large trace change predicted (6.02654e-05%) linmin: converged after 5 iterations. iteration 349: trace = 2.449322750975162 (6.02791e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.449321892900501 (3.50331e-05% change) linmin: converged after 7 iterations. iteration 351: trace = 2.449321683898963 (8.53304e-06% change) large trace change predicted (2.65235e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.44932103422288 (2.65247e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.449320437074354 (2.43802e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320221649538 (8.79529e-06% change) large trace change predicted (3.12902e-05%) linmin: converged after 6 iterations. iteration 355: trace = 2.449319455292288 (3.12886e-05% change) linmin: converged after 2 iterations. iteration 356: trace = 2.4493191233144 (1.35539e-05% change) linmin: converged after 2 iterations. iteration 357: trace = 2.449318967676911 (6.35432e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318672615042 (1.20467e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.449318385140851 (1.17369e-05% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318301710792 (3.40626e-06% change) large trace change predicted (1.14743e-05%) linmin: converged after 3 iterations. iteration 361: trace = 2.449318020705964 (1.14728e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.449317813628271 (8.4545e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.449317706580891 (4.3705e-06% change) large trace change predicted (1.71581e-05%) linmin: converged after 4 iterations. iteration 364: trace = 2.449317286438743 (1.71534e-05% change) linmin: converged after 5 iterations. iteration 365: trace = 2.449317121722504 (6.72499e-06% change) large trace change predicted (1.88753e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.44931665952607 (1.88704e-05% change) linmin: converged after 5 iterations. iteration 367: trace = 2.449316284035032 (1.53304e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.44931598779728 (1.20947e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315617308174 (1.51262e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.449315100622467 (2.10951e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314966477075 (5.47685e-06% change) large trace change predicted (1.54796e-05%) linmin: converged after 4 iterations. iteration 372: trace = 2.449314587271526 (1.54821e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.449314209642466 (1.54177e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449314060042585 (6.10783e-06% change) linmin: converged after 5 iterations. iteration 375: trace = 2.44931376699174 (1.19646e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.449313392413096 (1.52932e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313196464976 (8.00012e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931311062353 (3.50472e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.449312940551659 (6.94366e-06% change) linmin: converged after 3 iterations. iteration 380: trace = 2.449312827552721 (4.6135e-06% change) linmin: converged after 6 iterations. iteration 381: trace = 2.449312747911022 (3.25159e-06% change) large trace change predicted (7.49008e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.44931256444564 (7.49048e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.44931247121995 (3.8062e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.44931233049468 (5.7455e-06% change) large trace change predicted (1.2039e-05%) linmin: converged after 4 iterations. iteration 385: trace = 2.449312035633255 (1.20385e-05% change) linmin: converged after 4 iterations. iteration 386: trace = 2.449311885456354 (6.13139e-06% change) large trace change predicted (1.24054e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.449311581661915 (1.24033e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311389087495 (7.86239e-06% change) linmin: converged after 2 iterations. iteration 389: trace = 2.449311268698603 (4.91521e-06% change) linmin: converged after 6 iterations. iteration 390: trace = 2.449311073926549 (7.95212e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.44931073475165 (1.38478e-05% change) linmin: converged after 6 iterations. iteration 392: trace = 2.449310656267942 (3.20432e-06% change) large trace change predicted (9.56188e-06%) linmin: converged after 3 iterations. iteration 393: trace = 2.44931042209365 (9.56082e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310228419627 (7.90729e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.449310150478858 (3.18215e-06% change) large trace change predicted (8.64275e-06%) linmin: converged after 11 iterations. iteration 396: trace = 2.449309938782913 (8.64308e-06% change) linmin: converged after 4 iterations. iteration 397: trace = 2.44930975921922 (7.3312e-06% change) linmin: converged after 4 iterations. iteration 398: trace = 2.449309705724143 (2.18409e-06% change) large trace change predicted (8.31773e-06%) linmin: converged after 4 iterations. iteration 399: trace = 2.449309502012794 (8.31709e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309392642907 (4.46534e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.44930934131938 (2.09543e-06% change) large trace change predicted (8.87334e-06%) linmin: converged after 3 iterations. iteration 402: trace = 2.449309123997631 (8.87278e-06% change) linmin: converged after 8 iterations. iteration 403: trace = 2.449308922222955 (8.23802e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.449308823311691 (4.03833e-06% change) large trace change predicted (8.17136e-06%) linmin: converged after 8 iterations. iteration 405: trace = 2.449308623174232 (8.17118e-06% change) linmin: converged after 5 iterations. iteration 406: trace = 2.449308380629756 (9.90257e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.44930832157959 (2.41089e-06% change) large trace change predicted (9.74911e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449308082812707 (9.74834e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449307928331722 (6.30713e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449307863381324 (2.65179e-06% change) linmin: converged after 11 iterations. iteration 411: trace = 2.449307750719834 (4.59973e-06% change) linmin: converged after 9 iterations. iteration 412: trace = 2.44930759617264 (6.30983e-06% change) linmin: converged after 8 iterations. iteration 413: trace = 2.449307507967606 (3.60122e-06% change) large trace change predicted (7.30561e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.449307329057715 (7.30451e-06% change) linmin: converged after 18 iterations. iteration 415: trace = 2.449307207178362 (4.97607e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307129373056 (3.17663e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.449307006639951 (5.01093e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.449306966864445 (1.62395e-06% change) linmin: converged after 6 iterations. iteration 419: trace = 2.449306914000276 (2.15833e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.449306875380481 (1.57676e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.449306850612654 (1.01122e-06% change) large trace change predicted (3.39569e-06%) linmin: converged after 5 iterations. iteration 422: trace = 2.449306767437286 (3.39587e-06% change) linmin: converged after 5 iterations. iteration 423: trace = 2.449306675578913 (3.75038e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.449306620981348 (2.2291e-06% change) large trace change predicted (8.29323e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.449306417828372 (8.29431e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306328329006 (3.65407e-06% change) linmin: converged after 3 iterations. iteration 427: trace = 2.449306220976023 (4.383e-06% change) linmin: converged after 4 iterations. iteration 428: trace = 2.449306118848337 (4.16966e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.449306055279931 (2.59536e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.449305938052055 (4.78617e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305785141147 (6.24303e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305689851015 (3.8905e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.44930558817213 (4.15134e-06% change) large trace change predicted (8.77595e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.449305373204743 (8.77667e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305304858868 (2.79042e-06% change) large trace change predicted (6.12304e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305154891053 (6.12287e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449305036000753 (4.85404e-06% change) linmin: converged after 2 iterations. iteration 438: trace = 2.44930496041736 (3.08591e-06% change) linmin: converged after 10 iterations. iteration 439: trace = 2.449304917601723 (1.74807e-06% change) large trace change predicted (5.15328e-06%) linmin: converged after 4 iterations. iteration 440: trace = 2.449304791369659 (5.15379e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.449304741458016 (2.03779e-06% change) linmin: converged after 7 iterations. iteration 442: trace = 2.449304654473372 (3.5514e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304509184595 (5.93184e-06% change) linmin: converged after 5 iterations. iteration 444: trace = 2.449304456294106 (2.15941e-06% change) large trace change predicted (4.95564e-06%) linmin: converged after 4 iterations. iteration 445: trace = 2.449304334903203 (4.95614e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304173873083 (6.57452e-06% change) linmin: converged after 11 iterations. iteration 447: trace = 2.449304134298035 (1.61577e-06% change) large trace change predicted (5.56691e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.449303997940504 (5.56719e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303877039199 (4.93615e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303809660057 (2.75095e-06% change) linmin: converged after 15 iterations. iteration 451: trace = 2.449303703251061 (4.34446e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.449303521720978 (7.4115e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.449303479410832 (1.72744e-06% change) large trace change predicted (6.30616e-06%) linmin: converged after 4 iterations. iteration 454: trace = 2.44930332494781 (6.30641e-06% change) linmin: converged after 2 iterations. iteration 455: trace = 2.449303196299648 (5.25244e-06% change) linmin: converged after 5 iterations. iteration 456: trace = 2.44930315680863 (1.61234e-06% change) large trace change predicted (4.36591e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.449303049879013 (4.36572e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302998882024 (2.0821e-06% change) linmin: converged after 5 iterations. iteration 459: trace = 2.449302971831586 (1.10441e-06% change) large trace change predicted (2.85974e-06%) linmin: converged after 7 iterations. iteration 460: trace = 2.449302901795706 (2.85942e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302804517566 (3.97167e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.449302758683433 (1.87131e-06% change) large trace change predicted (7.37638e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.449302578077613 (7.37376e-06% change) linmin: converged after 6 iterations. iteration 464: trace = 2.449302439055304 (5.676e-06% change) linmin: converged after 4 iterations. iteration 465: trace = 2.449302385527099 (2.18545e-06% change) large trace change predicted (6.13002e-06%) linmin: converged after 10 iterations. iteration 466: trace = 2.449302235400487 (6.12936e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449302087328288 (6.04549e-06% change) linmin: converged after 11 iterations. iteration 468: trace = 2.449302021521985 (2.68674e-06% change) large trace change predicted (8.49346e-06%) linmin: converged after 3 iterations. iteration 469: trace = 2.44930181348616 (8.49368e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.449301644772229 (6.88825e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301544563133 (4.09133e-06% change) linmin: converged after 3 iterations. iteration 472: trace = 2.449301367402688 (7.2331e-06% change) linmin: converged after 8 iterations. iteration 473: trace = 2.449301158918312 (8.51199e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.449301103788178 (2.25085e-06% change) large trace change predicted (4.70311e-06%) linmin: converged after 4 iterations. iteration 475: trace = 2.449300988580139 (4.70371e-06% change) linmin: converged after 6 iterations. iteration 476: trace = 2.449300896772737 (3.74831e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.449300866357832 (1.24178e-06% change) large trace change predicted (3.92601e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.44930077018778 (3.92643e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.449300683770554 (3.52824e-06% change) linmin: converged after 4 iterations. iteration 480: trace = 2.449300656479704 (1.11423e-06% change) large trace change predicted (3.23321e-06%) linmin: converged after 2 iterations. iteration 481: trace = 2.449300577278313 (3.23363e-06% change) linmin: converged after 6 iterations. iteration 482: trace = 2.449300466061751 (4.54075e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.449300428023244 (1.55304e-06% change) large trace change predicted (7.25073e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.449300250425539 (7.25096e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.449300131892638 (4.83946e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.449300072898354 (2.40862e-06% change) large trace change predicted (8.52883e-06%) linmin: converged after 6 iterations. iteration 487: trace = 2.449299863989046 (8.52935e-06% change) linmin: converged after 3 iterations. iteration 488: trace = 2.449299665082108 (8.12097e-06% change) large trace change predicted (1.9404e-05%) linmin: converged after 3 iterations. iteration 489: trace = 2.44929918983289 (1.94035e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449298962043534 (9.30019e-06% change) linmin: converged after 9 iterations. iteration 491: trace = 2.449298755844723 (8.41869e-06% change) linmin: converged after 5 iterations. iteration 492: trace = 2.449298620798816 (5.51366e-06% change) linmin: converged after 4 iterations. iteration 493: trace = 2.449298572090829 (1.98865e-06% change) large trace change predicted (6.48881e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.449298413153169 (6.48911e-06% change) linmin: converged after 4 iterations. iteration 495: trace = 2.449298359767387 (2.17964e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.449298280489823 (3.23675e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.449298194838207 (3.49699e-06% change) linmin: converged after 12 iterations. iteration 498: trace = 2.449298140239789 (2.22915e-06% change) linmin: converged after 2 iterations. iteration 499: trace = 2.449298097612467 (1.74039e-06% change) linmin: converged after 8 iterations. iteration 500: trace = 2.449298035490159 (2.53633e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.449297992034129 (1.77422e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449297971223781 (8.49645e-07% change) large trace change predicted (1.87991e-06%) linmin: converged after 5 iterations. iteration 503: trace = 2.449297925181443 (1.87982e-06% change) linmin: converged after 4 iterations. iteration 504: trace = 2.449297878139211 (1.92064e-06% change) linmin: converged after 5 iterations. iteration 505: trace = 2.449297845111048 (1.34847e-06% change) large trace change predicted (4.69833e-06%) linmin: converged after 6 iterations. iteration 506: trace = 2.449297730059884 (4.69731e-06% change) linmin: converged after 4 iterations. iteration 507: trace = 2.449297699988394 (1.22776e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.449297642199617 (2.3594e-06% change) large trace change predicted (4.81107e-06%) linmin: converged after 3 iterations. iteration 509: trace = 2.44929752438478 (4.81015e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.44929747911903 (1.84811e-06% change) large trace change predicted (3.70331e-06%) linmin: converged after 3 iterations. iteration 511: trace = 2.449297388423847 (3.70291e-06% change) linmin: converged after 3 iterations. iteration 512: trace = 2.449297301422007 (3.55211e-06% change) linmin: converged after 15 iterations. iteration 513: trace = 2.44929726710429 (1.40112e-06% change) linmin: converged after 4 iterations. iteration 514: trace = 2.449297202493594 (2.63793e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297118123978 (3.44465e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297098977328 (7.8172e-07% change) large trace change predicted (2.38664e-06%) linmin: converged after 9 iterations. iteration 517: trace = 2.449297040514986 (2.3869e-06% change) linmin: converged after 4 iterations. iteration 518: trace = 2.449296982513297 (2.3681e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449296940061365 (1.73323e-06% change) linmin: converged after 12 iterations. iteration 520: trace = 2.449296930723386 (3.81251e-07% change) large trace change predicted (1.41312e-06%) linmin: converged after 8 iterations. iteration 521: trace = 2.449296896110427 (1.41318e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.449296876492185 (8.00974e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.449296860085393 (6.69857e-07% change) large trace change predicted (1.71313e-06%) linmin: converged after 4 iterations. iteration 524: trace = 2.449296818124541 (1.71318e-06% change) linmin: converged after 7 iterations. iteration 525: trace = 2.449296788553737 (1.20732e-06% change) linmin: converged after 10 iterations. iteration 526: trace = 2.449296751865314 (1.49792e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.449296681629323 (2.8676e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.449296661715937 (8.13025e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.44929662364585 (1.55433e-06% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296567946919 (2.27408e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.449296554510048 (5.48601e-07% change) large trace change predicted (2.41023e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.449296495480694 (2.41005e-06% change) linmin: converged after 4 iterations. iteration 533: trace = 2.449296442332612 (2.16993e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.449296422451371 (8.11712e-07% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296389842277 (1.33137e-06% change) linmin: converged after 5 iterations. iteration 536: trace = 2.449296332679542 (2.33384e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296319700671 (5.29902e-07% change) large trace change predicted (1.61254e-06%) linmin: converged after 4 iterations. iteration 538: trace = 2.449296280205539 (1.61251e-06% change) linmin: converged after 10 iterations. iteration 539: trace = 2.449296248674388 (1.28736e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.4492962396169 (3.698e-07% change) large trace change predicted (1.30988e-06%) linmin: converged after 5 iterations. iteration 541: trace = 2.449296207534937 (1.30984e-06% change) linmin: converged after 11 iterations. iteration 542: trace = 2.449296174568539 (1.34595e-06% change) linmin: converged after 5 iterations. iteration 543: trace = 2.449296165985985 (3.50409e-07% change) large trace change predicted (1.77249e-06%) linmin: converged after 4 iterations. iteration 544: trace = 2.449296122573905 (1.77243e-06% change) linmin: converged after 4 iterations. iteration 545: trace = 2.449296091985974 (1.24885e-06% change) linmin: converged after 10 iterations. iteration 546: trace = 2.449296075552141 (6.70961e-07% change) large trace change predicted (1.84229e-06%) linmin: converged after 7 iterations. iteration 547: trace = 2.449296030429687 (1.84226e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.449295973818217 (2.31134e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.449295963073737 (4.38676e-07% change) large trace change predicted (1.57194e-06%) linmin: converged after 8 iterations. iteration 550: trace = 2.449295924573315 (1.5719e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.449295901411956 (9.45633e-07% change) linmin: converged after 7 iterations. iteration 552: trace = 2.449295887073358 (5.85417e-07% change) large trace change predicted (1.17467e-06%) linmin: converged after 4 iterations. iteration 553: trace = 2.449295858302852 (1.17464e-06% change) linmin: converged after 5 iterations. iteration 554: trace = 2.449295825594148 (1.33543e-06% change) linmin: converged after 6 iterations. iteration 555: trace = 2.449295811533763 (5.74058e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449295783511515 (1.14409e-06% change) linmin: converged after 8 iterations. iteration 557: trace = 2.449295754158801 (1.19841e-06% change) linmin: converged after 16 iterations. iteration 558: trace = 2.449295746000531 (3.33086e-07% change) large trace change predicted (6.75053e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.449295729466491 (6.75053e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 560: trace = 2.449295723699159 (2.35469e-07% change) linmin: converged after 8 iterations. iteration 561: trace = 2.449295719145353 (1.85923e-07% change) large trace change predicted (7.18669e-07%) linmin: converged after 10 iterations. iteration 562: trace = 2.449295701542916 (7.18673e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.449295677695274 (9.73653e-07% change) linmin: converged after 5 iterations. iteration 564: trace = 2.449295666842978 (4.43078e-07% change) large trace change predicted (1.70343e-06%) linmin: converged after 18 iterations. iteration 565: trace = 2.4492956251186 (1.70353e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295608568285 (6.75717e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.449295588398641 (8.23488e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.449295567387004 (8.57865e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.449295556837434 (4.30719e-07% change) large trace change predicted (9.50373e-07%) linmin: converged after 6 iterations. iteration 570: trace = 2.449295533559557 (9.50391e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295498742708 (1.4215e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.449295471337947 (1.11888e-06% change) linmin: converged after 14 iterations. iteration 573: trace = 2.449295454315248 (6.95004e-07% change) large trace change predicted (1.66534e-06%) linmin: converged after 4 iterations. iteration 574: trace = 2.449295413523881 (1.66543e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.449295394090539 (7.93426e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.449295370806793 (9.5063e-07% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295350994837 (8.08884e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.449295333125299 (7.29579e-07% change) linmin: converged after 13 iterations. iteration 579: trace = 2.449295322520059 (4.32991e-07% change) large trace change predicted (1.06468e-06%) linmin: converged after 2 iterations. iteration 580: trace = 2.449295296442627 (1.06469e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.449295283122905 (5.43819e-07% change) linmin: converged after 2 iterations. iteration 582: trace = 2.449295263991757 (7.81088e-07% change) linmin: converged after 10 iterations. iteration 583: trace = 2.449295240008144 (9.79205e-07% change) linmin: converged after 16 iterations. iteration 584: trace = 2.449295227655927 (5.04317e-07% change) large trace change predicted (1.4574e-06%) linmin: converged after 4 iterations. iteration 585: trace = 2.449295191960348 (1.45738e-06% change) linmin: converged after 3 iterations. iteration 586: trace = 2.449295158881031 (1.35056e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295148138336 (4.38604e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.44929512938227 (7.65774e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.449295100364133 (1.18475e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295077814086 (9.20675e-07% change) linmin: converged after 5 iterations. iteration 591: trace = 2.449295063016357 (6.04163e-07% change) large trace change predicted (1.70647e-06%) linmin: converged after 4 iterations. iteration 592: trace = 2.449295021218325 (1.70653e-06% change) linmin: converged after 5 iterations. iteration 593: trace = 2.449294996460564 (1.01081e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.44929498378478 (5.17528e-07% change) large trace change predicted (1.04482e-06%) linmin: converged after 4 iterations. iteration 595: trace = 2.449294958194812 (1.04479e-06% change) linmin: converged after 7 iterations. iteration 596: trace = 2.449294942464789 (6.42227e-07% change) linmin: converged after 7 iterations. iteration 597: trace = 2.449294932495997 (4.07007e-07% change) linmin: converged after 5 iterations. iteration 598: trace = 2.449294920019993 (5.09371e-07% change) linmin: converged after 10 iterations. iteration 599: trace = 2.449294908978184 (4.50816e-07% change) linmin: converged after 6 iterations. iteration 600: trace = 2.44929489979332 (3.75e-07% change) large trace change predicted (1.29985e-06%) linmin: converged after 12 iterations. iteration 601: trace = 2.449294867959889 (1.2997e-06% change) linmin: converged after 4 iterations. iteration 602: trace = 2.449294840706553 (1.1127e-06% change) linmin: converged after 4 iterations. iteration 603: trace = 2.449294823564626 (6.99872e-07% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449294793758948 (1.21691e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.449294764735275 (1.18498e-06% change) linmin: converged after 4 iterations. iteration 606: trace = 2.449294752754349 (4.89158e-07% change) large trace change predicted (1.57869e-06%) linmin: converged after 20 iterations. iteration 607: trace = 2.449294714089068 (1.57863e-06% change) linmin: converged after 5 iterations. iteration 608: trace = 2.449294678734368 (1.44346e-06% change) linmin: converged after 5 iterations. iteration 609: trace = 2.449294660647144 (7.38467e-07% change) large trace change predicted (1.52257e-06%) linmin: converged after 4 iterations. iteration 610: trace = 2.449294623353037 (1.52265e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.449294595482258 (1.13791e-06% change) linmin: converged after 7 iterations. iteration 612: trace = 2.449294572783566 (9.26744e-07% change) linmin: converged after 6 iterations. iteration 613: trace = 2.449294538089499 (1.41649e-06% change) linmin: converged after 19 iterations. iteration 614: trace = 2.449294527705394 (4.23963e-07% change) large trace change predicted (9.49395e-07%) linmin: converged after 2 iterations. iteration 615: trace = 2.449294504451907 (9.49395e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294485497237 (7.73883e-07% change) linmin: converged after 7 iterations. iteration 617: trace = 2.449294476527676 (3.6621e-07% change) linmin: converged after 5 iterations. iteration 618: trace = 2.44929446043988 (6.56834e-07% change) linmin: converged after 6 iterations. iteration 619: trace = 2.449294436000751 (9.97803e-07% change) linmin: converged after 19 iterations. iteration 620: trace = 2.449294427867938 (3.32047e-07% change) linmin: converged after 4 iterations. iteration 621: trace = 2.449294414804712 (5.33346e-07% change) large trace change predicted (1.14812e-06%) linmin: converged after 10 iterations. iteration 622: trace = 2.449294386682773 (1.14816e-06% change) linmin: converged after 3 iterations. iteration 623: trace = 2.449294368487843 (7.42864e-07% change) linmin: converged after 7 iterations. iteration 624: trace = 2.449294347157103 (8.70893e-07% change) linmin: converged after 4 iterations. iteration 625: trace = 2.449294316655181 (1.24534e-06% change) linmin: converged after 5 iterations. iteration 626: trace = 2.449294298191574 (7.53834e-07% change) linmin: converged after 5 iterations. iteration 627: trace = 2.449294268452204 (1.2142e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.449294212478974 (2.28528e-06% change) linmin: converged after 4 iterations. iteration 629: trace = 2.449294147611416 (2.64842e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.449294105642093 (1.71353e-06% change) linmin: converged after 2 iterations. iteration 631: trace = 2.449294056000651 (2.02677e-06% change) linmin: converged after 21 iterations. iteration 632: trace = 2.449294036115356 (8.11879e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.449294020774135 (6.26353e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 5 iterations. iteration 634: trace = 2.449293989823266 (1.26366e-06% change) linmin: converged after 5 iterations. iteration 635: trace = 2.449293976441921 (5.46335e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449293959433588 (6.94418e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.449293942145088 (7.05856e-07% change) linmin: converged after 9 iterations. iteration 638: trace = 2.449293935059972 (2.89272e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449293922056752 (5.30897e-07% change) linmin: converged after 5 iterations. iteration 640: trace = 2.449293909693623 (5.04763e-07% change) linmin: converged after 3 iterations. iteration 641: trace = 2.449293905490843 (1.71592e-07% change) large trace change predicted (4.64502e-07%) linmin: converged after 10 iterations. iteration 642: trace = 2.44929389411432 (4.64482e-07% change) linmin: converged after 4 iterations. iteration 643: trace = 2.449293885505506 (3.51481e-07% change) linmin: converged after 4 iterations. iteration 644: trace = 2.449293872214862 (5.42632e-07% change) linmin: converged after 5 iterations. iteration 645: trace = 2.449293867163527 (2.06236e-07% change) large trace change predicted (1.04214e-06%) linmin: converged after 5 iterations. iteration 646: trace = 2.449293841640749 (1.04205e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449293834134831 (3.06452e-07% change) large trace change predicted (6.66378e-07%) linmin: converged after 7 iterations. iteration 648: trace = 2.449293817813669 (6.66362e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.449293797219437 (8.40823e-07% change) linmin: converged after 16 iterations. iteration 650: trace = 2.449293788665385 (3.49246e-07% change) large trace change predicted (7.82241e-07%) linmin: converged after 3 iterations. iteration 651: trace = 2.449293769506357 (7.82227e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.449293751428543 (7.38083e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.449293741139413 (4.20086e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.449293730736813 (4.24718e-07% change) linmin: converged after 11 iterations. iteration 655: trace = 2.449293711268567 (7.94851e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.449293707029274 (1.73082e-07% change) large trace change predicted (5.57407e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.449293693375604 (5.57453e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.449293681237842 (4.95562e-07% change) linmin: converged after 9 iterations. iteration 659: trace = 2.449293673098385 (3.32319e-07% change) linmin: converged after 14 iterations. iteration 660: trace = 2.449293670953859 (8.75569e-08% change) large trace change predicted (2.81185e-07%) linmin: converged after 16 iterations. iteration 661: trace = 2.449293664066693 (2.8119e-07% change) linmin: converged after 2 iterations. iteration 662: trace = 2.449293657307526 (2.75964e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293655285726 (8.25463e-08% change) large trace change predicted (3.99534e-07%) linmin: converged after 3 iterations. iteration 664: trace = 2.449293645499768 (3.99542e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293635575063 (4.05207e-07% change) linmin: converged after 18 iterations. iteration 666: trace = 2.44929363169782 (1.583e-07% change) large trace change predicted (6.12079e-07%) linmin: converged after 15 iterations. iteration 667: trace = 2.449293616706415 (6.12071e-07% change) linmin: converged after 7 iterations. iteration 668: trace = 2.449293607473717 (3.76953e-07% change) linmin: converged after 5 iterations. iteration 669: trace = 2.449293601686425 (2.36284e-07% change) linmin: converged after 3 iterations. iteration 670: trace = 2.449293592741131 (3.65219e-07% change) linmin: converged after 10 iterations. iteration 671: trace = 2.449293586156217 (2.6885e-07% change) linmin: converged after 6 iterations. iteration 672: trace = 2.449293577520223 (3.52591e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.449293563832737 (5.58834e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.449293555680868 (3.32825e-07% change) linmin: converged after 5 iterations. iteration 675: trace = 2.44929355059821 (2.07515e-07% change) linmin: converged after 15 iterations. iteration 676: trace = 2.449293540668462 (4.05413e-07% change) linmin: converged after 7 iterations. iteration 677: trace = 2.449293532501581 (3.33438e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.449293529614579 (1.17871e-07% change) large trace change predicted (2.77486e-07%) linmin: converged after 13 iterations. iteration 679: trace = 2.449293522818142 (2.77486e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.44929351758496 (2.13661e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293514767307 (1.15039e-07% change) large trace change predicted (2.89179e-07%) linmin: converged after 3 iterations. iteration 682: trace = 2.449293507684474 (2.89179e-07% change) linmin: converged after 19 iterations. iteration 683: trace = 2.449293499046686 (3.52664e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293496326315 (1.11068e-07% change) large trace change predicted (3.85903e-07%) linmin: converged after 14 iterations. iteration 685: trace = 2.449293486874536 (3.85898e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.449293479702585 (2.92817e-07% change) linmin: converged after 6 iterations. iteration 687: trace = 2.449293476612279 (1.26171e-07% change) large trace change predicted (4.75683e-07%) linmin: converged after 9 iterations. iteration 688: trace = 2.44929346496158 (4.75676e-07% change) linmin: converged after 19 iterations. iteration 689: trace = 2.449293455826329 (3.72975e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293453603701 (9.07457e-08% change) large trace change predicted (2.01899e-07%) linmin: converged after 3 iterations. iteration 691: trace = 2.44929344865865 (2.01897e-07% change) linmin: converged after 5 iterations. iteration 692: trace = 2.449293441017769 (3.11963e-07% change) linmin: converged after 14 iterations. iteration 693: trace = 2.449293439312106 (6.9639e-08% change) large trace change predicted (3.88014e-07%) linmin: converged after 13 iterations. iteration 694: trace = 2.449293429808462 (3.88016e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.449293423730869 (2.48137e-07% change) linmin: converged after 7 iterations. iteration 696: trace = 2.449293420629979 (1.26603e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.449293415912063 (1.92624e-07% change) linmin: converged after 4 iterations. iteration 698: trace = 2.449293412433326 (1.4203e-07% change) linmin: converged after 6 iterations. iteration 699: trace = 2.449293411750081 (2.78956e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 700: trace = 2.449293411140338 (2.48946e-08% change) large trace change predicted (8.87114e-08%) linmin: converged after 5 iterations. iteration 701: trace = 2.449293408967532 (8.87115e-08% change) linmin: converged after 7 iterations. iteration 702: trace = 2.449293405174838 (1.54849e-07% change) linmin: converged after 8 iterations. iteration 703: trace = 2.449293402660708 (1.02647e-07% change) large trace change predicted (2.29789e-07%) linmin: converged after 7 iterations. iteration 704: trace = 2.449293397032493 (2.29789e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293389321189 (3.14838e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293387170937 (8.77907e-08% change) large trace change predicted (2.75883e-07%) linmin: converged after 13 iterations. iteration 707: trace = 2.449293380413677 (2.75886e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.449293376740355 (1.49975e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.449293374438893 (9.39643e-08% change) large trace change predicted (2.3725e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293368627877 (2.37253e-07% change) linmin: converged after 5 iterations. iteration 711: trace = 2.449293361874114 (2.75743e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293358047964 (1.56214e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.449293350432366 (3.1093e-07% change) linmin: converged after 2 iterations. iteration 714: trace = 2.449293343172245 (2.96417e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293341495746 (6.84483e-08% change) large trace change predicted (3.32879e-07%) linmin: converged after 5 iterations. iteration 716: trace = 2.449293333342458 (3.32883e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293327903435 (2.22065e-07% change) linmin: converged after 5 iterations. iteration 718: trace = 2.449293326472478 (5.84233e-08% change) large trace change predicted (1.81779e-07%) linmin: converged after 8 iterations. iteration 719: trace = 2.449293322020201 (1.81778e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.449293317101661 (2.00815e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.449293315498709 (6.54455e-08% change) large trace change predicted (2.28961e-07%) linmin: converged after 4 iterations. iteration 722: trace = 2.449293309890793 (2.28961e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293304846273 (2.05958e-07% change) linmin: converged after 6 iterations. iteration 724: trace = 2.449293302406054 (9.96295e-08% change) large trace change predicted (3.20586e-07%) linmin: converged after 4 iterations. iteration 725: trace = 2.449293294553936 (3.20587e-07% change) linmin: converged after 16 iterations. iteration 726: trace = 2.449293286065541 (3.46565e-07% change) linmin: converged after 7 iterations. iteration 727: trace = 2.449293284358994 (6.96751e-08% change) large trace change predicted (2.39705e-07%) linmin: converged after 6 iterations. iteration 728: trace = 2.449293278487862 (2.39707e-07% change) linmin: converged after 2 iterations. iteration 729: trace = 2.449293271830818 (2.71794e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293269646035 (8.92005e-08% change) large trace change predicted (1.99113e-07%) linmin: converged after 9 iterations. iteration 731: trace = 2.44929326476915 (1.99114e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.449293256929876 (3.20063e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.449293255017268 (7.80881e-08% change) large trace change predicted (3.02027e-07%) linmin: converged after 4 iterations. iteration 734: trace = 2.449293247619684 (3.02029e-07% change) linmin: converged after 7 iterations. iteration 735: trace = 2.449293242918402 (1.91944e-07% change) linmin: converged after 4 iterations. iteration 736: trace = 2.449293239792965 (1.27606e-07% change) linmin: converged after 4 iterations. iteration 737: trace = 2.449293237127113 (1.08842e-07% change) linmin: converged after 13 iterations. iteration 738: trace = 2.449293233197696 (1.60431e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293232153095 (4.26491e-08% change) large trace change predicted (1.24118e-07%) linmin: converged after 11 iterations. iteration 740: trace = 2.449293229113121 (1.24116e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.449293223275536 (2.38338e-07% change) linmin: converged after 5 iterations. iteration 742: trace = 2.449293215989949 (2.97457e-07% change) linmin: converged after 5 iterations. iteration 743: trace = 2.449293212828947 (1.29058e-07% change) large trace change predicted (3.29746e-07%) linmin: converged after 5 iterations. iteration 744: trace = 2.449293204752885 (3.2973e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293198921186 (2.38097e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.449293195926412 (1.22271e-07% change) large trace change predicted (3.28784e-07%) linmin: converged after 4 iterations. iteration 747: trace = 2.449293187873554 (3.28783e-07% change) linmin: converged after 10 iterations. iteration 748: trace = 2.44929318048013 (3.01859e-07% change) linmin: converged after 7 iterations. iteration 749: trace = 2.449293176783148 (1.50941e-07% change) large trace change predicted (3.41874e-07%) linmin: converged after 5 iterations. iteration 750: trace = 2.449293168409311 (3.41888e-07% change) linmin: converged after 6 iterations. iteration 751: trace = 2.449293161358077 (2.87889e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293158795709 (1.04617e-07% change) large trace change predicted (3.3662e-07%) linmin: converged after 5 iterations. iteration 753: trace = 2.449293150550567 (3.36634e-07% change) linmin: converged after 15 iterations. iteration 754: trace = 2.449293146104317 (1.81532e-07% change) linmin: converged after 17 iterations. iteration 755: trace = 2.449293142578431 (1.43955e-07% change) linmin: converged after 7 iterations. iteration 756: trace = 2.449293137636132 (2.01785e-07% change) linmin: converged after 3 iterations. iteration 757: trace = 2.449293134960425 (1.09244e-07% change) linmin: converged after 5 iterations. iteration 758: trace = 2.449293133890114 (4.36988e-08% change) large trace change predicted (2.12186e-07%) linmin: converged after 8 iterations. iteration 759: trace = 2.449293128692931 (2.12191e-07% change) linmin: converged after 2 iterations. iteration 760: trace = 2.44929312483052 (1.57695e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.449293122817416 (8.21912e-08% change) large trace change predicted (2.14328e-07%) linmin: converged after 18 iterations. iteration 762: trace = 2.449293117567795 (2.14332e-07% change) linmin: converged after 5 iterations. iteration 763: trace = 2.449293109478727 (3.30261e-07% change) linmin: converged after 16 iterations. iteration 764: trace = 2.449293107303254 (8.88204e-08% change) large trace change predicted (2.89887e-07%) linmin: converged after 7 iterations. iteration 765: trace = 2.449293100203215 (2.89881e-07% change) linmin: converged after 13 iterations. iteration 766: trace = 2.449293092678574 (3.07217e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293089356407 (1.35638e-07% change) large trace change predicted (4.10872e-07%) linmin: converged after 4 iterations. iteration 768: trace = 2.449293079292906 (4.10874e-07% change) large trace change predicted (1.88903e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293033020493 (1.88922e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 770: trace = 2.449293017859338 (6.19001e-07% change) linmin: converged after 4 iterations. iteration 771: trace = 2.449292997335465 (8.37951e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.449292990055918 (2.9721e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.449292986875904 (1.29834e-07% change) linmin: converged after 6 iterations. iteration 774: trace = 2.44929298194117 (2.01476e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.449292977513544 (1.80772e-07% change) linmin: converged after 4 iterations. iteration 776: trace = 2.449292975985296 (6.23955e-08% change) large trace change predicted (1.40361e-07%) linmin: converged after 5 iterations. iteration 777: trace = 2.449292972547426 (1.40362e-07% change) linmin: converged after 6 iterations. iteration 778: trace = 2.449292970281747 (9.25034e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292968669508 (6.58247e-08% change) linmin: converged after 4 iterations. iteration 780: trace = 2.449292965488973 (1.29855e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.449292963452461 (8.31469e-08% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449292962030898 (5.80397e-08% change) linmin: converged after 5 iterations. iteration 783: trace = 2.449292960401037 (6.65441e-08% change) linmin: converged after 12 iterations. iteration 784: trace = 2.44929295936435 (4.2326e-08% change) linmin: converged after 3 iterations. iteration 785: trace = 2.449292957887395 (6.03013e-08% change) large trace change predicted (1.64174e-07%) linmin: converged after 7 iterations. iteration 786: trace = 2.449292953866421 (1.64169e-07% change) linmin: converged after 6 iterations. iteration 787: trace = 2.449292952324942 (6.29357e-08% change) linmin: converged after 22 iterations. iteration 788: trace = 2.449292949756055 (1.04883e-07% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292946340921 (1.39433e-07% change) linmin: converged after 12 iterations. iteration 790: trace = 2.449292943466925 (1.1734e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449292941449611 (8.23631e-08% change) large trace change predicted (1.76286e-07%) linmin: converged after 4 iterations. iteration 792: trace = 2.449292937131886 (1.76285e-07% change) linmin: converged after 6 iterations. iteration 793: trace = 2.44929293471257 (9.87761e-08% change) linmin: converged after 4 iterations. iteration 794: trace = 2.449292933570916 (4.66116e-08% change) large trace change predicted (1.0952e-07%) linmin: converged after 16 iterations. iteration 795: trace = 2.449292930888411 (1.09522e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.449292928472271 (9.86465e-08% change) linmin: converged after 9 iterations. iteration 797: trace = 2.44929292752214 (3.87921e-08% change) large trace change predicted (1.29005e-07%) linmin: converged after 5 iterations. iteration 798: trace = 2.449292924362227 (1.29013e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292922608704 (7.1593e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449292921987183 (2.53755e-08% change) linmin: converged after 4 iterations. iteration 801: trace = 2.449292920856802 (4.61513e-08% change) linmin: converged after 12 iterations. iteration 802: trace = 2.449292919242745 (6.58989e-08% change) linmin: converged after 4 iterations. iteration 803: trace = 2.449292918906371 (1.37335e-08% change) large trace change predicted (5.3093e-08%) linmin: converged after 13 iterations. iteration 804: trace = 2.449292917605954 (5.30936e-08% change) linmin: converged after 9 iterations. iteration 805: trace = 2.449292915746954 (7.58995e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292915173552 (2.34109e-08% change) large trace change predicted (1.23819e-07%) linmin: converged after 4 iterations. iteration 807: trace = 2.449292912140874 (1.23819e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292909165388 (1.21483e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.449292908355971 (3.3047e-08% change) linmin: converged after 8 iterations. iteration 810: trace = 2.449292907006068 (5.5114e-08% change) linmin: converged after 4 iterations. iteration 811: trace = 2.449292904765311 (9.14859e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449292904283508 (1.96711e-08% change) large trace change predicted (7.5548e-08%) linmin: converged after 6 iterations. iteration 813: trace = 2.449292902433123 (7.55477e-08% change) linmin: converged after 6 iterations. iteration 814: trace = 2.449292900882532 (6.33077e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449292900154227 (2.97353e-08% change) large trace change predicted (8.10514e-08%) linmin: converged after 11 iterations. iteration 816: trace = 2.44929289816905 (8.1051e-08% change) linmin: converged after 4 iterations. iteration 817: trace = 2.449292896565611 (6.54654e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292896116787 (1.83246e-08% change) large trace change predicted (6.52536e-08%) linmin: converged after 4 iterations. iteration 819: trace = 2.449292894518531 (6.52538e-08% change) linmin: converged after 4 iterations. iteration 820: trace = 2.449292893654204 (3.52888e-08% change) linmin: converged after 6 iterations. iteration 821: trace = 2.449292893082696 (2.33336e-08% change) linmin: converged after 6 iterations. iteration 822: trace = 2.449292892102284 (4.00284e-08% change) linmin: converged after 6 iterations. iteration 823: trace = 2.44929289059465 (6.15539e-08% change) linmin: converged after 5 iterations. iteration 824: trace = 2.449292890180633 (1.69035e-08% change) large trace change predicted (6.98948e-08%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929288846872 (6.98942e-08% change) linmin: converged after 4 iterations. iteration 826: trace = 2.449292887120091 (5.5062e-08% change) linmin: converged after 6 iterations. iteration 827: trace = 2.449292885710225 (5.75621e-08% change) linmin: converged after 2 iterations. iteration 828: trace = 2.449292884715976 (4.05933e-08% change) large trace change predicted (8.82631e-08%) linmin: converged after 6 iterations. iteration 829: trace = 2.449292882554172 (8.82624e-08% change) linmin: converged after 7 iterations. iteration 830: trace = 2.449292882047176 (2.06997e-08% change) linmin: converged after 16 iterations. iteration 831: trace = 2.44929288114976 (3.66398e-08% change) linmin: converged after 16 iterations. iteration 832: trace = 2.449292879853422 (5.2927e-08% change) linmin: converged after 7 iterations. iteration 833: trace = 2.449292879303432 (2.24551e-08% change) large trace change predicted (4.5898e-08%) linmin: converged after 4 iterations. iteration 834: trace = 2.449292878179263 (4.58977e-08% change) linmin: converged after 8 iterations. iteration 835: trace = 2.449292876556131 (6.62694e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292875733296 (3.35948e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.449292875150569 (2.37917e-08% change) linmin: converged after 4 iterations. iteration 838: trace = 2.449292874393678 (3.09024e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.449292874080253 (1.27965e-08% change) resetting CG direction... linmin: converged after 21 iterations. iteration 840: trace = 2.449292873967415 (4.60697e-09% change) large trace change predicted (1.69055e-08%) linmin: converged after 17 iterations. iteration 841: trace = 2.44929287355335 (1.69055e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.44929287306852 (1.97947e-08% change) linmin: converged after 7 iterations. iteration 843: trace = 2.449292872508723 (2.28555e-08% change) large trace change predicted (4.9977e-08%) linmin: converged after 9 iterations. iteration 844: trace = 2.449292871284631 (4.99774e-08% change) linmin: converged after 21 iterations. iteration 845: trace = 2.449292870579088 (2.8806e-08% change) linmin: converged after 13 iterations. iteration 846: trace = 2.449292869672021 (3.70338e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292868796988 (3.57259e-08% change) linmin: converged after 6 iterations. iteration 848: trace = 2.449292868026058 (3.14756e-08% change) linmin: converged after 5 iterations. iteration 849: trace = 2.449292867457215 (2.32248e-08% change) large trace change predicted (4.70101e-08%) linmin: converged after 10 iterations. iteration 850: trace = 2.449292866305782 (4.70108e-08% change) linmin: converged after 8 iterations. iteration 851: trace = 2.449292865714547 (2.4139e-08% change) large trace change predicted (6.01496e-08%) linmin: converged after 12 iterations. iteration 852: trace = 2.449292864241292 (6.01502e-08% change) linmin: converged after 4 iterations. iteration 853: trace = 2.449292863098565 (4.66554e-08% change) linmin: converged after 4 iterations. iteration 854: trace = 2.449292862614544 (1.97616e-08% change) large trace change predicted (3.99072e-08%) linmin: converged after 4 iterations. iteration 855: trace = 2.449292861637095 (3.99074e-08% change) linmin: converged after 10 iterations. iteration 856: trace = 2.449292860121806 (6.18664e-08% change) linmin: converged after 16 iterations. iteration 857: trace = 2.449292859769265 (1.43936e-08% change) large trace change predicted (3.14806e-08%) linmin: converged after 4 iterations. iteration 858: trace = 2.449292858998214 (3.14805e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.449292858159179 (3.42562e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292857763835 (1.61411e-08% change) linmin: converged after 8 iterations. iteration 861: trace = 2.449292857082745 (2.78076e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929285597718 (4.51381e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292855555715 (1.72077e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.449292854812911 (3.03273e-08% change) large trace change predicted (6.69542e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.449292853173 (6.69545e-08% change) linmin: converged after 6 iterations. iteration 866: trace = 2.449292851727355 (5.9023e-08% change) linmin: converged after 22 iterations. iteration 867: trace = 2.449292851389133 (1.3809e-08% change) large trace change predicted (4.38061e-08%) linmin: converged after 9 iterations. iteration 868: trace = 2.449292850316193 (4.38061e-08% change) linmin: converged after 3 iterations. iteration 869: trace = 2.449292849136188 (4.81774e-08% change) linmin: converged after 3 iterations. iteration 870: trace = 2.449292848822578 (1.28041e-08% change) large trace change predicted (4.5316e-08%) linmin: converged after 6 iterations. iteration 871: trace = 2.449292847712644 (4.53165e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292846443147 (5.18312e-08% change) linmin: converged after 6 iterations. iteration 873: trace = 2.449292845748386 (2.83658e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292845007645 (3.0243e-08% change) linmin: converged after 8 iterations. iteration 875: trace = 2.449292843850388 (4.72486e-08% change) linmin: converged after 4 iterations. iteration 876: trace = 2.449292843117773 (2.99113e-08% change) linmin: converged after 3 iterations. iteration 877: trace = 2.449292842599656 (2.11537e-08% change) linmin: converged after 4 iterations. iteration 878: trace = 2.449292841835009 (3.12191e-08% change) linmin: converged after 24 iterations. iteration 879: trace = 2.449292841435062 (1.63291e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292841175833 (1.05839e-08% change) large trace change predicted (4.84804e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.449292839988434 (4.84793e-08% change) linmin: converged after 6 iterations. iteration 882: trace = 2.449292839130921 (3.50106e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.449292838172862 (3.91157e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.4492928368989 (5.20135e-08% change) linmin: converged after 6 iterations. iteration 885: trace = 2.449292835283679 (6.59464e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292834895996 (1.58284e-08% change) large trace change predicted (6.78066e-08%) linmin: converged after 6 iterations. iteration 887: trace = 2.449292833235237 (6.78056e-08% change) linmin: converged after 7 iterations. iteration 888: trace = 2.449292832369222 (3.53578e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.449292831384404 (4.02083e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.449292830191172 (4.87174e-08% change) linmin: converged after 4 iterations. iteration 891: trace = 2.449292829316749 (3.5701e-08% change) linmin: converged after 4 iterations. iteration 892: trace = 2.449292828219289 (4.48072e-08% change) linmin: converged after 2 iterations. iteration 893: trace = 2.449292826985967 (5.03542e-08% change) linmin: converged after 15 iterations. iteration 894: trace = 2.449292826584196 (1.64036e-08% change) large trace change predicted (4.22061e-08%) linmin: converged after 4 iterations. iteration 895: trace = 2.449292825550431 (4.22066e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.449292824858348 (2.82565e-08% change) linmin: converged after 4 iterations. iteration 897: trace = 2.449292824362147 (2.0259e-08% change) linmin: converged after 9 iterations. iteration 898: trace = 2.449292824113142 (1.01664e-08% change) large trace change predicted (3.98197e-08%) linmin: converged after 5 iterations. iteration 899: trace = 2.449292823137826 (3.98203e-08% change) linmin: converged after 4 iterations. iteration 900: trace = 2.449292822549128 (2.40354e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.449292822024046 (2.14381e-08% change) linmin: converged after 2 iterations. iteration 902: trace = 2.449292821063121 (3.92327e-08% change) linmin: converged after 5 iterations. iteration 903: trace = 2.44929281949104 (6.41851e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292819103697 (1.58145e-08% change) large trace change predicted (6.34558e-08%) linmin: converged after 4 iterations. iteration 905: trace = 2.449292817549491 (6.34553e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.449292816251781 (5.29831e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.449292815514756 (3.00913e-08% change) large trace change predicted (9.99597e-08%) linmin: converged after 6 iterations. iteration 908: trace = 2.449292813066457 (9.99594e-08% change) large trace change predicted (2.32544e-07%) linmin: converged after 2 iterations. iteration 909: trace = 2.44929280737074 (2.32545e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292804767744 (1.06275e-07% change) linmin: converged after 2 iterations. iteration 911: trace = 2.449292802463312 (9.40856e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292800963751 (6.12242e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.4492928003545 (2.48746e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.449292799184187 (4.77817e-08% change) linmin: converged after 12 iterations. iteration 915: trace = 2.449292798406269 (3.17609e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292798101766 (1.24323e-08% change) large trace change predicted (2.81206e-08%) linmin: converged after 5 iterations. iteration 917: trace = 2.449292797412998 (2.81211e-08% change) linmin: converged after 5 iterations. iteration 918: trace = 2.449292796953241 (1.8771e-08% change) linmin: converged after 24 iterations. iteration 919: trace = 2.449292796599247 (1.44529e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.449292796051903 (2.2347e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292795842403 (8.55347e-09% change) linmin: converged after 3 iterations. iteration 922: trace = 2.449292795507014 (1.36933e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292795126459 (1.55373e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292794644464 (1.96789e-08% change) linmin: converged after 17 iterations. iteration 925: trace = 2.449292794445311 (8.13106e-09% change) large trace change predicted (2.50347e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292793832144 (2.50344e-08% change) linmin: converged after 23 iterations. iteration 927: trace = 2.44929279346304 (1.50698e-08% change) linmin: converged after 5 iterations. iteration 928: trace = 2.449292793159334 (1.23997e-08% change) large trace change predicted (3.61892e-08%) linmin: converged after 7 iterations. iteration 929: trace = 2.449292792272968 (3.61886e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.449292791951839 (1.31111e-08% change) linmin: converged after 5 iterations. iteration 931: trace = 2.449292791582293 (1.50879e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292790908833 (2.74961e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292790287225 (2.53791e-08% change) linmin: converged after 16 iterations. iteration 934: trace = 2.449292790149227 (5.6342e-09% change) large trace change predicted (2.59762e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.449292789512982 (2.59767e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.449292788960277 (2.25659e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292788817194 (5.84182e-09% change) large trace change predicted (1.65993e-08%) linmin: converged after 4 iterations. iteration 938: trace = 2.449292788410628 (1.65993e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292788061161 (1.42681e-08% change) linmin: converged after 5 iterations. iteration 940: trace = 2.449292787904088 (6.41298e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292787727407 (7.21355e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.449292787440076 (1.17312e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292787216697 (9.12013e-09% change) linmin: converged after 14 iterations. iteration 944: trace = 2.449292787086417 (5.31911e-09% change) large trace change predicted (2.13184e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292786564272 (2.13182e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292786386931 (7.24049e-09% change) large trace change predicted (2.13741e-08%) linmin: converged after 6 iterations. iteration 947: trace = 2.449292785863411 (2.13743e-08% change) linmin: converged after 2 iterations. iteration 948: trace = 2.449292785444216 (1.71149e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292785222719 (9.04329e-09% change) linmin: converged after 6 iterations. iteration 950: trace = 2.449292784831595 (1.59689e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.449292784342337 (1.99755e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.449292784199534 (5.8304e-09% change) linmin: converged after 17 iterations. iteration 953: trace = 2.449292783988332 (8.62297e-09% change) linmin: converged after 5 iterations. iteration 954: trace = 2.449292783654258 (1.36396e-08% change) linmin: converged after 4 iterations. iteration 955: trace = 2.449292783500174 (6.29095e-09% change) linmin: converged after 2 iterations. iteration 956: trace = 2.449292783208447 (1.19106e-08% change) linmin: converged after 6 iterations. iteration 957: trace = 2.449292782947198 (1.06663e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292782853326 (3.8326e-09% change) large trace change predicted (8.90601e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.449292782635202 (8.9056e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.449292782448499 (7.62273e-09% change) linmin: converged after 15 iterations. iteration 961: trace = 2.449292782248253 (8.17567e-09% change) linmin: converged after 16 iterations. iteration 962: trace = 2.449292782146571 (4.15146e-09% change) large trace change predicted (1.25185e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292781839952 (1.25187e-08% change) linmin: converged after 12 iterations. iteration 964: trace = 2.4492927815918 (1.01315e-08% change) linmin: converged after 6 iterations. iteration 965: trace = 2.449292781489148 (4.19109e-09% change) large trace change predicted (1.03353e-08%) linmin: converged after 13 iterations. iteration 966: trace = 2.449292781236014 (1.0335e-08% change) linmin: converged after 17 iterations. iteration 967: trace = 2.449292780804872 (1.76027e-08% change) linmin: converged after 27 iterations. iteration 968: trace = 2.449292780674483 (5.32354e-09% change) large trace change predicted (1.3142e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.449292780352598 (1.31419e-08% change) linmin: converged after 22 iterations. iteration 970: trace = 2.449292780049838 (1.23611e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292779979538 (2.87022e-09% change) large trace change predicted (1.13314e-08%) linmin: converged after 4 iterations. iteration 972: trace = 2.449292779702009 (1.1331e-08% change) linmin: converged after 19 iterations. iteration 973: trace = 2.449292779538785 (6.6641e-09% change) linmin: converged after 5 iterations. iteration 974: trace = 2.449292779394868 (5.87587e-09% change) linmin: converged after 21 iterations. iteration 975: trace = 2.449292779154436 (9.81639e-09% change) linmin: converged after 4 iterations. iteration 976: trace = 2.449292778961834 (7.86359e-09% change) linmin: converged after 8 iterations. iteration 977: trace = 2.449292778861067 (4.11411e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292778715018 (5.96292e-09% change) linmin: converged after 3 iterations. iteration 979: trace = 2.449292778660124 (2.24121e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292778642429 (7.22461e-10% change) large trace change predicted (1.8637e-09%) linmin: converged after 10 iterations. iteration 981: trace = 2.449292778596778 (1.86383e-09% change) large trace change predicted (4.79827e-09%) linmin: converged after 16 iterations. iteration 982: trace = 2.449292778479253 (4.79833e-09% change) linmin: converged after 5 iterations. iteration 983: trace = 2.449292778403906 (3.07625e-09% change) large trace change predicted (7.38274e-09%) linmin: converged after 7 iterations. iteration 984: trace = 2.449292778223077 (7.38293e-09% change) linmin: converged after 3 iterations. iteration 985: trace = 2.449292778008108 (8.77676e-09% change) linmin: converged after 4 iterations. iteration 986: trace = 2.449292777899364 (4.43982e-09% change) linmin: converged after 4 iterations. iteration 987: trace = 2.44929277773461 (6.72661e-09% change) linmin: converged after 4 iterations. iteration 988: trace = 2.44929277748362 (1.02474e-08% change) linmin: converged after 16 iterations. iteration 989: trace = 2.449292777430113 (2.18461e-09% change) large trace change predicted (9.29698e-09%) linmin: converged after 10 iterations. iteration 990: trace = 2.449292777202406 (9.29684e-09% change) linmin: converged after 4 iterations. iteration 991: trace = 2.44929277696782 (9.57773e-09% change) linmin: converged after 18 iterations. iteration 992: trace = 2.449292776861291 (4.34938e-09% change) large trace change predicted (1.12244e-08%) linmin: converged after 2 iterations. iteration 993: trace = 2.449292776586386 (1.12238e-08% change) linmin: converged after 6 iterations. iteration 994: trace = 2.449292776349524 (9.67063e-09% change) linmin: converged after 5 iterations. iteration 995: trace = 2.449292776278055 (2.91793e-09% change) large trace change predicted (9.96082e-09%) linmin: converged after 4 iterations. iteration 996: trace = 2.449292776034087 (9.96075e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292775870198 (6.69129e-09% change) linmin: converged after 3 iterations. iteration 998: trace = 2.449292775812048 (2.37417e-09% change) large trace change predicted (7.34534e-09%) linmin: converged after 7 iterations. iteration 999: trace = 2.449292775632143 (7.34516e-09% change) linmin: converged after 7 iterations. iteration 1000: trace = 2.449292775487076 (5.92281e-09% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.449292775440195 (1.91405e-09% change) large trace change predicted (5.54556e-09%) linmin: converged after 5 iterations. iteration 1002: trace = 2.449292775304374 (5.54534e-09% change) linmin: converged after 7 iterations. iteration 1003: trace = 2.449292775126637 (7.25665e-09% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292775074531 (2.1274e-09% change) large trace change predicted (1.21033e-08%) linmin: converged after 6 iterations. iteration 1005: trace = 2.449292774778077 (1.21037e-08% change) linmin: converged after 8 iterations. iteration 1006: trace = 2.449292774512282 (1.08519e-08% change) linmin: converged after 18 iterations. iteration 1007: trace = 2.449292774367768 (5.90022e-09% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.449292774282644 (3.47545e-09% change) large trace change predicted (9.99848e-09%) linmin: converged after 4 iterations. iteration 1009: trace = 2.449292774037751 (9.9985e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292773823038 (8.76633e-09% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.449292773693298 (5.29707e-09% change) linmin: converged after 3 iterations. iteration 1012: trace = 2.449292773530047 (6.6652e-09% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.449292773211893 (1.29896e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.4492927730975 (4.67047e-09% change) linmin: converged after 4 iterations. iteration 1015: trace = 2.44929277290337 (7.92598e-09% change) linmin: converged after 7 iterations. iteration 1016: trace = 2.449292772717558 (7.58633e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292772670309 (1.92908e-09% change) large trace change predicted (4.34693e-09%) linmin: converged after 4 iterations. iteration 1018: trace = 2.449292772563841 (4.34689e-09% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.449292772441809 (4.98232e-09% change) linmin: converged after 10 iterations. iteration 1020: trace = 2.449292772349872 (3.75362e-09% change) linmin: converged after 14 iterations. iteration 1021: trace = 2.449292772194014 (6.36339e-09% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292771984177 (8.56727e-09% change) linmin: converged after 7 iterations. iteration 1023: trace = 2.449292771864493 (4.88645e-09% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.449292771642871 (9.04842e-09% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.44929277126778 (1.53143e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.449292771183107 (3.45706e-09% change) large trace change predicted (9.18166e-09%) linmin: converged after 4 iterations. iteration 1027: trace = 2.449292770958227 (9.18139e-09% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292770749206 (8.53392e-09% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292770651521 (3.98833e-09% change) large trace change predicted (9.64777e-09%) linmin: converged after 4 iterations. iteration 1030: trace = 2.449292770415231 (9.64726e-09% change) linmin: converged after 4 iterations. iteration 1031: trace = 2.449292770083744 (1.3534e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.4492927700224 (2.50457e-09% change) large trace change predicted (8.77186e-09%) linmin: converged after 15 iterations. iteration 1033: trace = 2.449292769807539 (8.77235e-09% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292769616413 (7.80334e-09% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292769562297 (2.20943e-09% change) large trace change predicted (6.11638e-09%) linmin: converged after 13 iterations. iteration 1036: trace = 2.44929276941248 (6.11675e-09% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292769286351 (5.1496e-09% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.449292769224287 (2.53398e-09% change) linmin: converged after 19 iterations. iteration 1039: trace = 2.44929276910249 (4.97272e-09% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.449292768979161 (5.0353e-09% change) large trace change predicted (1.02177e-08%) linmin: converged after 7 iterations. iteration 1041: trace = 2.449292768728897 (1.02178e-08% change) linmin: converged after 25 iterations. iteration 1042: trace = 2.449292768668198 (2.47823e-09% change) large trace change predicted (1.08394e-08%) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292768402714 (1.08392e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292768186227 (8.83877e-09% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292768080908 (4.29995e-09% change) large trace change predicted (1.20036e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292767786905 (1.20036e-08% change) linmin: converged after 16 iterations. iteration 1047: trace = 2.449292767317353 (1.91709e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.4492927669618 (1.45166e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.449292766428851 (2.17593e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.449292765968325 (1.88024e-08% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.44929276571488 (1.03477e-08% change) linmin: converged after 6 iterations. iteration 1052: trace = 2.449292765371522 (1.40186e-08% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.449292765277895 (3.82265e-09% change) large trace change predicted (7.97857e-09%) linmin: converged after 6 iterations. iteration 1054: trace = 2.44929276508247 (7.97883e-09% change) linmin: converged after 9 iterations. iteration 1055: trace = 2.449292764915714 (6.80833e-09% change) linmin: converged after 10 iterations. iteration 1056: trace = 2.449292764819785 (3.91658e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292764727159 (3.78174e-09% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.449292764583072 (5.88282e-09% change) linmin: converged after 3 iterations. iteration 1059: trace = 2.449292764546222 (1.50452e-09% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.449292764473461 (2.97067e-09% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.449292764372156 (4.13608e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.44929276434261 (1.20631e-09% change) large trace change predicted (3.00343e-09%) linmin: converged after 23 iterations. iteration 1063: trace = 2.449292764269038 (3.00383e-09% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292764168866 (4.08983e-09% change) linmin: converged after 6 iterations. iteration 1065: trace = 2.449292764134953 (1.38458e-09% change) large trace change predicted (5.27524e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292764005743 (5.27542e-09% change) linmin: converged after 6 iterations. iteration 1067: trace = 2.449292763884682 (4.94269e-09% change) linmin: converged after 14 iterations. iteration 1068: trace = 2.449292763841545 (1.7612e-09% change) large trace change predicted (6.20926e-09%) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292763689454 (6.2096e-09% change) linmin: converged after 5 iterations. iteration 1070: trace = 2.449292763603154 (3.52344e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.449292763560514 (1.74092e-09% change) large trace change predicted (4.86847e-09%) linmin: converged after 5 iterations. iteration 1072: trace = 2.449292763441272 (4.86842e-09% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.44929276332374 (4.79862e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.449292763290435 (1.35978e-09% change) large trace change predicted (4.88064e-09%) linmin: converged after 5 iterations. iteration 1075: trace = 2.449292763170891 (4.88075e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292763072989 (3.99716e-09% change) linmin: converged after 4 iterations. iteration 1077: trace = 2.449292762995178 (3.17688e-09% change) linmin: converged after 9 iterations. iteration 1078: trace = 2.449292762971944 (9.48595e-10% change) large trace change predicted (3.05053e-09%) linmin: converged after 4 iterations. iteration 1079: trace = 2.44929276289723 (3.05043e-09% change) linmin: converged after 13 iterations. iteration 1080: trace = 2.449292762855669 (1.69686e-09% change) linmin: converged after 12 iterations. iteration 1081: trace = 2.449292762837263 (7.51471e-10% change) large trace change predicted (2.23762e-09%) linmin: converged after 12 iterations. iteration 1082: trace = 2.44929276278246 (2.23753e-09% change) linmin: converged after 14 iterations. iteration 1083: trace = 2.449292762713095 (2.83202e-09% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.449292762687419 (1.04832e-09% change) large trace change predicted (5.03792e-09%) linmin: converged after 7 iterations. iteration 1085: trace = 2.449292762564024 (5.03799e-09% change) linmin: converged after 18 iterations. iteration 1086: trace = 2.449292762456729 (4.38065e-09% change) linmin: converged after 18 iterations. iteration 1087: trace = 2.449292762417846 (1.58749e-09% change) large trace change predicted (3.1791e-09%) linmin: converged after 3 iterations. iteration 1088: trace = 2.449292762339978 (3.17922e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292762236167 (4.23841e-09% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.449292762214396 (8.88852e-10% change) large trace change predicted (3.58121e-09%) linmin: converged after 4 iterations. iteration 1091: trace = 2.44929276212669 (3.5809e-09% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292762069378 (2.33992e-09% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.449292762012817 (2.30928e-09% change) linmin: converged after 4 iterations. iteration 1094: trace = 2.449292761982268 (1.24725e-09% change) large trace change predicted (3.10232e-09%) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292761906284 (3.10231e-09% change) linmin: converged after 15 iterations. iteration 1096: trace = 2.449292761891368 (6.08995e-10% change) large trace change predicted (1.63706e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292761851263 (1.63739e-09% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.449292761807737 (1.77711e-09% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.449292761793073 (5.98678e-10% change) large trace change predicted (1.42501e-09%) linmin: converged after 13 iterations. iteration 1100: trace = 2.449292761758168 (1.4251e-09% change) linmin: converged after 15 iterations. iteration 1101: trace = 2.449292761707303 (2.07673e-09% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.44929276169212 (6.1991e-10% change) large trace change predicted (1.7834e-09%) linmin: converged after 22 iterations. iteration 1103: trace = 2.449292761648443 (1.78323e-09% change) linmin: converged after 5 iterations. iteration 1104: trace = 2.449292761585703 (2.56158e-09% change) linmin: converged after 21 iterations. iteration 1105: trace = 2.449292761543351 (1.72913e-09% change) linmin: converged after 2 iterations. iteration 1106: trace = 2.449292761507111 (1.47962e-09% change) large trace change predicted (3.44618e-09%) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292761422707 (3.44604e-09% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.449292761353378 (2.83059e-09% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.449292761327601 (1.05241e-09% change) linmin: converged after 12 iterations. iteration 1110: trace = 2.44929276128173 (1.87282e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292761220391 (2.50435e-09% change) linmin: converged after 6 iterations. iteration 1112: trace = 2.449292761208689 (4.77779e-10% change) large trace change predicted (2.07531e-09%) linmin: converged after 4 iterations. iteration 1113: trace = 2.449292761157852 (2.0756e-09% change) linmin: converged after 6 iterations. iteration 1114: trace = 2.449292761110674 (1.92616e-09% change) linmin: converged after 9 iterations. iteration 1115: trace = 2.44929276108564 (1.02212e-09% change) linmin: converged after 2 iterations. iteration 1116: trace = 2.449292761053592 (1.30847e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.449292761030066 (9.60489e-10% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.449292761024818 (2.14276e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.44929276101568 (3.73088e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.449292761007742 (3.24079e-10% change) linmin: converged after 10 iterations. iteration 1121: trace = 2.44929276100358 (1.69945e-10% change) large trace change predicted (7.80825e-10%) linmin: converged after 3 iterations. iteration 1122: trace = 2.449292760984458 (7.80717e-10% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.44929276096336 (8.61383e-10% change) linmin: converged after 8 iterations. iteration 1124: trace = 2.449292760939866 (9.5922e-10% change) linmin: converged after 18 iterations. iteration 1125: trace = 2.449292760897241 (1.74028e-09% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.449292760848863 (1.97519e-09% change) linmin: converged after 5 iterations. iteration 1127: trace = 2.449292760837915 (4.4701e-10% change) large trace change predicted (2.25817e-09%) linmin: converged after 2 iterations. iteration 1128: trace = 2.44929276078261 (2.258e-09% change) linmin: converged after 8 iterations. iteration 1129: trace = 2.449292760754957 (1.12898e-09% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.449292760730642 (9.92763e-10% change) large trace change predicted (2.03515e-09%) linmin: converged after 7 iterations. iteration 1131: trace = 2.449292760680793 (2.03524e-09% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.449292760631572 (2.00959e-09% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.449292760604489 (1.10574e-09% change) large trace change predicted (2.32198e-09%) linmin: converged after 4 iterations. iteration 1134: trace = 2.44929276054762 (2.32188e-09% change) linmin: converged after 21 iterations. iteration 1135: trace = 2.4492927605003 (1.93198e-09% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.449292760486126 (5.78697e-10% change) large trace change predicted (1.34256e-09%) linmin: converged after 7 iterations. iteration 1137: trace = 2.449292760453242 (1.34259e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292760418562 (1.41593e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.449292760409395 (3.74267e-10% change) large trace change predicted (1.20718e-09%) linmin: converged after 7 iterations. iteration 1140: trace = 2.449292760379826 (1.20722e-09% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.449292760356247 (9.62719e-10% change) linmin: converged after 16 iterations. iteration 1142: trace = 2.449292760344707 (4.71124e-10% change) large trace change predicted (1.27546e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.449292760313462 (1.2757e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.449292760266365 (1.92286e-09% change) linmin: converged after 9 iterations. iteration 1145: trace = 2.449292760255133 (4.58577e-10% change) large trace change predicted (1.91525e-09%) linmin: converged after 6 iterations. iteration 1146: trace = 2.449292760208221 (1.91534e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292760169658 (1.57445e-09% change) linmin: converged after 19 iterations. iteration 1148: trace = 2.449292760156511 (5.3676e-10% change) large trace change predicted (1.9284e-09%) linmin: converged after 19 iterations. iteration 1149: trace = 2.449292760109271 (1.92874e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292760072884 (1.48561e-09% change) linmin: converged after 16 iterations. iteration 1151: trace = 2.449292760044754 (1.14851e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760010435 (1.40117e-09% change) large trace change predicted (3.03388e-09%) linmin: converged after 2 iterations. iteration 1153: trace = 2.44929275993613 (3.03373e-09% change) linmin: converged after 8 iterations. iteration 1154: trace = 2.449292759906359 (1.21549e-09% change) linmin: converged after 15 iterations. iteration 1155: trace = 2.449292759858777 (1.94266e-09% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292759822857 (1.46657e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.449292759797514 (1.03468e-09% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.449292759789126 (3.42501e-10% change) large trace change predicted (1.0153e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292759764242 (1.01595e-09% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.449292759728197 (1.47165e-09% change) linmin: converged after 7 iterations. iteration 1161: trace = 2.449292759715638 (5.12754e-10% change) large trace change predicted (1.54497e-09%) linmin: converged after 8 iterations. iteration 1162: trace = 2.4492927596778 (1.54488e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.449292759626884 (2.07877e-09% change) linmin: converged after 6 iterations. iteration 1164: trace = 2.449292759608432 (7.53393e-10% change) large trace change predicted (2.37225e-09%) linmin: converged after 10 iterations. iteration 1165: trace = 2.449292759550325 (2.37239e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.449292759509685 (1.65925e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292759482831 (1.09638e-09% change) linmin: converged after 12 iterations. iteration 1168: trace = 2.449292759453837 (1.18378e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.449292759399416 (2.22188e-09% change) linmin: converged after 10 iterations. iteration 1170: trace = 2.449292759378642 (8.48183e-10% change) large trace change predicted (2.1927e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292759324932 (2.19287e-09% change) linmin: converged after 15 iterations. iteration 1172: trace = 2.449292759281017 (1.79297e-09% change) linmin: converged after 7 iterations. iteration 1173: trace = 2.449292759251759 (1.19453e-09% change) linmin: converged after 13 iterations. iteration 1174: trace = 2.449292759226954 (1.01278e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759191787 (1.43578e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292759176609 (6.19674e-10% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.449292759167176 (3.85146e-10% change) large trace change predicted (1.32493e-09%) linmin: converged after 14 iterations. iteration 1178: trace = 2.449292759134728 (1.3248e-09% change) linmin: converged after 4 iterations. iteration 1179: trace = 2.449292759103133 (1.28993e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.44929275909218 (4.47227e-10% change) large trace change predicted (1.78244e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292759048531 (1.78209e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.449292759012669 (1.4642e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292758991429 (8.67185e-10% change) large trace change predicted (1.92437e-09%) linmin: converged after 15 iterations. iteration 1184: trace = 2.449292758944294 (1.9244e-09% change) linmin: converged after 16 iterations. iteration 1185: trace = 2.449292758888086 (2.2949e-09% change) linmin: converged after 16 iterations. iteration 1186: trace = 2.449292758862216 (1.05622e-09% change) large trace change predicted (3.36071e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.4492927587799 (3.36079e-09% change) linmin: converged after 2 iterations. iteration 1188: trace = 2.449292758728909 (2.08187e-09% change) linmin: converged after 4 iterations. iteration 1189: trace = 2.449292758646394 (3.36891e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.449292758570232 (3.10956e-09% change) linmin: converged after 5 iterations. iteration 1191: trace = 2.449292758528312 (1.71154e-09% change) linmin: converged after 6 iterations. iteration 1192: trace = 2.449292758463964 (2.62719e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.449292758444641 (7.8893e-10% change) large trace change predicted (1.66761e-09%) linmin: converged after 18 iterations. iteration 1194: trace = 2.449292758403796 (1.66759e-09% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.449292758371266 (1.32814e-09% change) linmin: converged after 7 iterations. iteration 1196: trace = 2.449292758357194 (5.74545e-10% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.449292758334138 (9.41324e-10% change) linmin: converged after 3 iterations. iteration 1198: trace = 2.449292758306159 (1.14236e-09% change) linmin: converged after 11 iterations. iteration 1199: trace = 2.449292758299229 (2.82921e-10% change) large trace change predicted (8.66803e-10%) linmin: converged after 9 iterations. iteration 1200: trace = 2.449292758277997 (8.66859e-10% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758256874 (8.62398e-10% change) linmin: converged after 6 iterations. iteration 1202: trace = 2.44929275825095 (2.41872e-10% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.44929275823966 (4.60953e-10% change) linmin: converged after 19 iterations. iteration 1204: trace = 2.449292758217747 (8.94672e-10% change) linmin: converged after 10 iterations. iteration 1205: trace = 2.449292758210747 (2.85804e-10% change) large trace change predicted (1.131e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.449292758183054 (1.13063e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292758157191 (1.05593e-09% change) linmin: converged after 8 iterations. iteration 1208: trace = 2.449292758128336 (1.17812e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758116175 (4.96526e-10% change) large trace change predicted (1.09776e-09%) linmin: converged after 6 iterations. iteration 1210: trace = 2.449292758089271 (1.09841e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.44929275807355 (6.41867e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758064461 (3.71076e-10% change) linmin: converged after 6 iterations. iteration 1213: trace = 2.449292758046835 (7.19632e-10% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.44929275802047 (1.07644e-09% change) linmin: converged after 3 iterations. iteration 1215: trace = 2.44929275801478 (2.32335e-10% change) large trace change predicted (8.12678e-10%) linmin: converged after 19 iterations. iteration 1216: trace = 2.449292757994878 (8.12537e-10% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292757980141 (6.01706e-10% change) linmin: converged after 3 iterations. iteration 1218: trace = 2.449292757974836 (2.16597e-10% change) large trace change predicted (5.59722e-10%) linmin: converged after 18 iterations. iteration 1219: trace = 2.449292757961126 (5.5975e-10% change) linmin: converged after 5 iterations. iteration 1220: trace = 2.449292757950947 (4.15588e-10% change) linmin: converged after 4 iterations. iteration 1221: trace = 2.449292757947216 (1.52303e-10% change) large trace change predicted (4.28529e-10%) linmin: converged after 6 iterations. iteration 1222: trace = 2.449292757936721 (4.28498e-10% change) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292757921767 (6.10554e-10% change) linmin: converged after 3 iterations. iteration 1224: trace = 2.449292757912874 (3.63098e-10% change) large trace change predicted (9.90502e-10%) linmin: converged after 9 iterations. iteration 1225: trace = 2.449292757888617 (9.90333e-10% change) linmin: converged after 15 iterations. iteration 1226: trace = 2.44929275786038 (1.15288e-09% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.449292757845739 (5.97753e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292757838752 (2.85278e-10% change) large trace change predicted (7.35967e-10%) linmin: converged after 4 iterations. iteration 1229: trace = 2.449292757820726 (7.35969e-10% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.449292757806199 (5.93094e-10% change) linmin: converged after 3 iterations. iteration 1231: trace = 2.449292757800715 (2.23904e-10% change) large trace change predicted (5.02954e-10%) linmin: converged after 4 iterations. iteration 1232: trace = 2.449292757788395 (5.03035e-10% change) linmin: converged after 13 iterations. iteration 1233: trace = 2.449292757772279 (6.57986e-10% change) linmin: converged after 7 iterations. iteration 1234: trace = 2.449292757767738 (1.85375e-10% change) large trace change predicted (5.15055e-10%) linmin: converged after 6 iterations. iteration 1235: trace = 2.449292757755121 (5.15129e-10% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.449292757747561 (3.0865e-10% change) linmin: converged after 6 iterations. iteration 1237: trace = 2.449292757741099 (2.63865e-10% change) linmin: converged after 3 iterations. iteration 1238: trace = 2.449292757736615 (1.83036e-10% change) linmin: converged after 6 iterations. iteration 1239: trace = 2.449292757727691 (3.64385e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292757725059 (1.07446e-10% change) large trace change predicted (3.94538e-10%) linmin: converged after 6 iterations. iteration 1241: trace = 2.449292757715408 (3.94012e-10% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.449292757707109 (3.38856e-10% change) linmin: converged after 2 iterations. iteration 1243: trace = 2.449292757703049 (1.65738e-10% change) large trace change predicted (5.3833e-10%) linmin: converged after 16 iterations. iteration 1244: trace = 2.449292757689868 (5.38156e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292757674787 (6.1574e-10% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.44929275766581 (3.66525e-10% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.449292757655007 (4.41044e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757641816 (5.38591e-10% change) linmin: converged after 6 iterations. iteration 1249: trace = 2.449292757632077 (3.9762e-10% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.449292757628572 (1.43092e-10% change) large trace change predicted (5.66461e-10%) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292757614693 (5.66676e-10% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292757604955 (3.97547e-10% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.44929275760057 (1.79065e-10% change) large trace change predicted (3.60655e-10%) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757591733 (3.60795e-10% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.449292757582814 (3.64131e-10% change) linmin: converged after 3 iterations. iteration 1256: trace = 2.449292757579361 (1.40989e-10% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) Finished solving for bands 1 to 10 after 1257 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: 9.498558759689331 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861294823707 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854223892372 (0.318771% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310860216668 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172950204133 (0.0455393% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678864135456 (0.0998863% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170593955623 (0.0203681% change) linmin: converged after 6 iterations. iteration 7: trace = 2.494660906209061 (0.0204291% change) linmin: converged after 3 iterations. iteration 8: trace = 2.494390041883609 (0.0108584% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240374217128 (0.00600035% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053174731029 (0.00750555% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006825486339 (0.00185841% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.4938539337283 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809367813176 (0.00178705% change) large trace change predicted (0.00364813%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718828130056 (0.00363064% change) linmin: converged after 5 iterations. iteration 15: trace = 2.493653590997041 (0.00261609% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597478449508 (0.00225024% change) large trace change predicted (0.00494521%) linmin: converged after 5 iterations. iteration 17: trace = 2.493474380662515 (0.00493668% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424211282409 (0.00201205% change) large trace change predicted (0.00492523%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301803556187 (0.00490934% change) linmin: converged after 5 iterations. iteration 20: trace = 2.493243906051005 (0.00232215% change) large trace change predicted (0.00472084%) linmin: converged after 4 iterations. iteration 21: trace = 2.49312657023029 (0.00470626% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032187772082 (0.00378578% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931282130852 (0.00404759% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785228344313 (0.00585889% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694607675644 (0.00363538% change) linmin: converged after 3 iterations. iteration 26: trace = 2.49255659821512 (0.00553671% change) linmin: converged after 6 iterations. iteration 27: trace = 2.492504536387946 (0.00208871% change) large trace change predicted (0.00584589%) linmin: converged after 5 iterations. iteration 28: trace = 2.492359092471954 (0.00583542% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292349087578 (0.00267796% change) linmin: converged after 4 iterations. iteration 30: trace = 2.492204279010497 (0.00353376% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122077924615 (0.00329838% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088499467698 (0.00134739% change) large trace change predicted (0.00374959%) linmin: converged after 6 iterations. iteration 33: trace = 2.491995155120871 (0.0037457% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973065110292 (0.000886443% change) large trace change predicted (0.00384145%) linmin: converged after 7 iterations. iteration 35: trace = 2.49187743560066 (0.00383758% change) linmin: converged after 17 iterations. iteration 36: trace = 2.491799717427675 (0.00311891% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716656516858 (0.00333343% change) large trace change predicted (0.00753776%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529155564599 (0.00752525% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464441983394 (0.00259738% change) large trace change predicted (0.00785127%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269246541563 (0.00783487% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195511873895 (0.00295977% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085264280376 (0.00442559% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014765050342 (0.0028301% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969415878733 (0.00182053% change) large trace change predicted (0.0053874%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834911351619 (0.00539983% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789502484418 (0.00182305% change) large trace change predicted (0.0100849%) linmin: converged after 3 iterations. iteration 47: trace = 2.49053647452969 (0.0101591% change) linmin: converged after 20 iterations. iteration 48: trace = 2.490423740490455 (0.0045266% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250082384984 (0.00697328% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020799246789 (0.00920766% change) linmin: converged after 5 iterations. iteration 51: trace = 2.489949055174652 (0.00288131% change) large trace change predicted (0.00946168%) linmin: converged after 3 iterations. iteration 52: trace = 2.48971117962506 (0.00955389% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658491902614 (0.00211624% change) large trace change predicted (0.00434355%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549898127971 (0.00436189% change) linmin: converged after 5 iterations. iteration 55: trace = 2.48947062557736 (0.00318426% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407081986692 (0.00255253% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315107827438 (0.00369469% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272616817455 (0.00170695% change) large trace change predicted (0.0035833%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183274694564 (0.00358915% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147397629161 (0.00144133% change) large trace change predicted (0.00337187%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063390627739 (0.00337499% change) linmin: converged after 7 iterations. iteration 62: trace = 2.489014206089442 (0.00197605% change) linmin: converged after 3 iterations. iteration 63: trace = 2.488950741324421 (0.00254983% change) linmin: converged after 3 iterations. iteration 64: trace = 2.488865312927528 (0.00343236% change) linmin: converged after 9 iterations. iteration 65: trace = 2.48882896850126 (0.00146029% change) linmin: converged after 3 iterations. iteration 66: trace = 2.48876392857978 (0.00261331% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735831145782 (0.00112898% change) large trace change predicted (0.00312832%) linmin: converged after 4 iterations. iteration 68: trace = 2.488658025727338 (0.00312635% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603332566496 (0.00219772% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574488312971 (0.00115906% change) large trace change predicted (0.00249044%) linmin: converged after 3 iterations. iteration 71: trace = 2.48851254333619 (0.00248921% change) linmin: converged after 4 iterations. iteration 72: trace = 2.488484811407522 (0.0011144% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451517226611 (0.00133794% change) large trace change predicted (0.00319143%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372331770319 (0.00318217% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356743306831 (0.000626454% change) large trace change predicted (0.00189955%) linmin: converged after 17 iterations. iteration 76: trace = 2.488309528844206 (0.00189743% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271470308082 (0.00152951% change) linmin: converged after 6 iterations. iteration 78: trace = 2.48825801210287 (0.000540867% change) large trace change predicted (0.00171403%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215444516833 (0.00171075% change) linmin: converged after 5 iterations. iteration 80: trace = 2.488166265906318 (0.00197648% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145088281531 (0.000851137% change) linmin: converged after 8 iterations. iteration 82: trace = 2.488106107642166 (0.00156667% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066356131985 (0.00159767% change) linmin: converged after 4 iterations. iteration 84: trace = 2.488048660012617 (0.000711242% change) large trace change predicted (0.00194535%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000407478186 (0.00193939% change) linmin: converged after 12 iterations. iteration 86: trace = 2.487937964026419 (0.00250982% change) linmin: converged after 7 iterations. iteration 87: trace = 2.487919669342228 (0.000735338% change) large trace change predicted (0.00295757%) linmin: converged after 9 iterations. iteration 88: trace = 2.487846129611174 (0.00295592% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797914847537 (0.00193803% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776324147264 (0.000867868% change) large trace change predicted (0.00215009%) linmin: converged after 10 iterations. iteration 91: trace = 2.487722850374884 (0.00214948% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710832915366 (0.000483072% change) large trace change predicted (0.00124415%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679892050236 (0.00124376% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653052696605 (0.0010789% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630523528716 (0.000905644% change) linmin: converged after 3 iterations. iteration 96: trace = 2.487599187541065 (0.00125968% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540234500335 (0.00236991% change) linmin: converged after 4 iterations. iteration 98: trace = 2.487521680053145 (0.000745898% change) linmin: converged after 3 iterations. iteration 99: trace = 2.48749369234538 (0.00112513% change) linmin: converged after 4 iterations. iteration 100: trace = 2.487462280776408 (0.00126279% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745538317346 (0.000277295% change) large trace change predicted (0.000932189%) linmin: converged after 4 iterations. iteration 102: trace = 2.487432232946961 (0.000930683% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405053164896 (0.00109269% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396826845584 (0.000330719% change) large trace change predicted (0.00148287%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359850426164 (0.00148656% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331104378208 (0.00115569% change) linmin: converged after 3 iterations. iteration 107: trace = 2.487319503966435 (0.000466381% change) large trace change predicted (0.00232124%) linmin: converged after 3 iterations. iteration 108: trace = 2.487261660731532 (0.00232555% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237139175291 (0.000985891% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206689245876 (0.00122425% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487173039153497 (0.00135294% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160582945407 (0.000500819% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141962003475 (0.000748686% change) linmin: converged after 4 iterations. iteration 114: trace = 2.48711156923264 (0.001222% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101755939142 (0.000394567% change) large trace change predicted (0.000796849%) linmin: converged after 4 iterations. iteration 116: trace = 2.48708194273615 (0.000796641% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063696706578 (0.000733635% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055332252373 (0.000336319% change) large trace change predicted (0.00104762%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029269408359 (0.00104795% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487008045615736 (0.000853383% change) linmin: converged after 6 iterations. iteration 121: trace = 2.48700017167732 (0.000316603% change) large trace change predicted (0.000982653%) linmin: converged after 3 iterations. iteration 122: trace = 2.486975733197829 (0.000982654% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952916262832 (0.000917461% change) linmin: converged after 2 iterations. iteration 124: trace = 2.48694005832716 (0.000517017% change) large trace change predicted (0.00230729%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730276597 (0.00230519% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843517538343 (0.0015768% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783802235894 (0.00240128% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698778470992 (0.00341908% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661370526541 (0.00150433% change) linmin: converged after 4 iterations. iteration 130: trace = 2.486623166420387 (0.00153637% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591360895059 (0.00127907% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581571046237 (0.000393706% change) large trace change predicted (0.000967222%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557511365659 (0.000967585% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535889996014 (0.000869534% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525791526607 (0.000406127% change) large trace change predicted (0.0013309%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492674495266 (0.00133187% change) linmin: converged after 3 iterations. iteration 137: trace = 2.486468592737199 (0.000968508% change) linmin: converged after 8 iterations. iteration 138: trace = 2.486461349200129 (0.000291319% change) large trace change predicted (0.000628824%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445714945586 (0.000628777% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.486440364077793 (0.000215202% change) linmin: converged after 3 iterations. iteration 141: trace = 2.48643689442398 (0.000139543% change) large trace change predicted (0.000493667%) linmin: converged after 5 iterations. iteration 142: trace = 2.486424630862111 (0.00049322% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421645138631 (0.000120081% change) large trace change predicted (0.00052143%) linmin: converged after 9 iterations. iteration 144: trace = 2.48640869659411 (0.000520772% change) linmin: converged after 4 iterations. iteration 145: trace = 2.486392039075713 (0.000669945% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387568137675 (0.000179816% change) large trace change predicted (0.000453974%) linmin: converged after 4 iterations. iteration 147: trace = 2.486376278695008 (0.000454051% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363701246483 (0.000505856% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359977647575 (0.000149761% change) large trace change predicted (0.000896594%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337671144955 (0.000897159% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322945990872 (0.000592244% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310311991143 (0.000508141% change) linmin: converged after 3 iterations. iteration 153: trace = 2.48628834262749 (0.000883617% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270777770409 (0.000706472% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265100022484 (0.000228364% change) large trace change predicted (0.000475066%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253277978252 (0.000475495% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244584253122 (0.000349672% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241802712577 (0.000111877% change) large trace change predicted (0.000398101%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901505214 (0.000398241% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229510742024 (9.61602e-05% change) large trace change predicted (0.000223303%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223958656125 (0.000223314% change) linmin: converged after 5 iterations. iteration 162: trace = 2.486219153101501 (0.000193287% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216749691723 (9.66693e-05% change) large trace change predicted (0.00028739%) linmin: converged after 4 iterations. iteration 164: trace = 2.486209611799701 (0.000287099% change) linmin: converged after 4 iterations. iteration 165: trace = 2.486198939073596 (0.000429278% change) linmin: converged after 4 iterations. iteration 166: trace = 2.486196075316957 (0.000115186% change) large trace change predicted (0.000263943%) linmin: converged after 3 iterations. iteration 167: trace = 2.486189515898882 (0.000263834% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181677693373 (0.00031527% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178980746995 (0.000108478% change) large trace change predicted (0.000243339%) linmin: converged after 3 iterations. iteration 170: trace = 2.486172932037342 (0.000243294% change) linmin: converged after 6 iterations. iteration 171: trace = 2.486164268379485 (0.000348474% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160749798842 (0.000141527% change) large trace change predicted (0.000307656%) linmin: converged after 4 iterations. iteration 173: trace = 2.48615310281474 (0.000307583% change) linmin: converged after 13 iterations. iteration 174: trace = 2.486145978824816 (0.000286547% change) linmin: converged after 4 iterations. iteration 175: trace = 2.486143489981627 (0.000100109% change) large trace change predicted (0.000285133%) linmin: converged after 5 iterations. iteration 176: trace = 2.486136403667667 (0.000285033% change) linmin: converged after 3 iterations. iteration 177: trace = 2.486131847476408 (0.000183264% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129089392494 (0.000110939% change) linmin: converged after 4 iterations. iteration 179: trace = 2.486124817015899 (0.000171849% change) linmin: converged after 3 iterations. iteration 180: trace = 2.48612236315362 (9.87023e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119062160494 (0.000132777% change) large trace change predicted (0.000341427%) linmin: converged after 4 iterations. iteration 182: trace = 2.4861105797808 (0.00034119% change) linmin: converged after 7 iterations. iteration 183: trace = 2.486106060532093 (0.00018178% change) linmin: converged after 5 iterations. iteration 184: trace = 2.486103655763718 (9.67284e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099626625522 (0.000162067% change) linmin: converged after 7 iterations. iteration 186: trace = 2.486095981949239 (0.000146602% change) linmin: converged after 4 iterations. iteration 187: trace = 2.486093698477957 (9.18497e-05% change) large trace change predicted (0.000189809%) linmin: converged after 3 iterations. iteration 188: trace = 2.486088979475488 (0.000189816% change) linmin: converged after 4 iterations. iteration 189: trace = 2.48608690303075 (8.35226e-05% change) large trace change predicted (0.000213472%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081594103196 (0.000213546% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075453278893 (0.000247008% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072831976526 (0.000105439% change) linmin: converged after 3 iterations. iteration 193: trace = 2.4860679699097 (0.000195572% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062912554137 (0.000203428% change) linmin: converged after 4 iterations. iteration 195: trace = 2.486061531735453 (5.55424e-05% change) large trace change predicted (0.000142%) linmin: converged after 4 iterations. iteration 196: trace = 2.486057999578007 (0.000142079% change) linmin: converged after 5 iterations. iteration 197: trace = 2.486054808772496 (0.000128348% change) linmin: converged after 3 iterations. iteration 198: trace = 2.48605378060835 (4.13573e-05% change) large trace change predicted (9.41783e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051438129305 (9.42248e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.486048715755478 (0.000109506% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047264557858 (5.83737e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045469216303 (7.22167e-05% change) large trace change predicted (0.000221725%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039953169782 (0.000221881% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486039052344386 (3.62354e-05% change) large trace change predicted (0.000205339%) linmin: converged after 5 iterations. iteration 205: trace = 2.48603394525744 (0.000205431% change) linmin: converged after 4 iterations. iteration 206: trace = 2.486031440356014 (0.000100759% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030262167184 (4.73924e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.486028013530505 (9.04509e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486025018789553 (0.000120463% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.486023490495198 (6.14754e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.48602166290103 (7.35148e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486020612198732 (4.22644e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 2.486018869972251 (7.0081e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.48601666176142 (8.88252e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.48601553870887 (4.51748e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.486013568363215 (7.92572e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.486011370528944 (8.8408e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.486010571011795 (3.21606e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.486009406007689 (4.68624e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.486007496049898 (7.68283e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486007097673618 (1.60247e-05% change) large trace change predicted (9.33328e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.486004778739243 (9.32795e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486003289766493 (5.98942e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486002283893566 (4.04615e-05% change) large trace change predicted (8.70104e-05%) linmin: converged after 5 iterations. iteration 225: trace = 2.486000121159814 (8.69965e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.485997425034041 (0.000108452% change) linmin: converged after 9 iterations. iteration 227: trace = 2.485996163125309 (5.07607e-05% change) large trace change predicted (0.000151638%) linmin: converged after 3 iterations. iteration 228: trace = 2.485992393875975 (0.000151619% change) linmin: converged after 4 iterations. iteration 229: trace = 2.485989733002224 (0.000107035% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485988693714676 (4.18058e-05% change) large trace change predicted (0.000117502%) linmin: converged after 4 iterations. iteration 231: trace = 2.485985772719453 (0.000117498% change) linmin: converged after 3 iterations. iteration 232: trace = 2.485984443995183 (5.34486e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.485982851734076 (6.40495e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.485980885310167 (7.91005e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485979858206526 (4.13158e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.485978209871819 (6.63053e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.48597582834629 (9.57984e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.485974912326365 (3.68475e-05% change) large trace change predicted (8.70141e-05%) linmin: converged after 4 iterations. iteration 239: trace = 2.485972748667882 (8.70346e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.485971492712208 (5.05217e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485970973928371 (2.08685e-05% change) large trace change predicted (5.40368e-05%) linmin: converged after 6 iterations. iteration 242: trace = 2.485969630536715 (5.40389e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.485967559831264 (8.32957e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485967078739419 (1.93523e-05% change) large trace change predicted (8.2354e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.485965031323315 (8.2359e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.485962640659584 (9.61665e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485961944036905 (2.80223e-05% change) large trace change predicted (0.000151146%) linmin: converged after 4 iterations. iteration 248: trace = 2.485958185151954 (0.000151205% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485956960222452 (4.9274e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485955150742278 (7.27881e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485953066285371 (8.38494e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485952164881962 (3.62599e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.485950800249106 (5.48938e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485948205009592 (0.000104396% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485947601448794 (2.42789e-05% change) large trace change predicted (5.97318e-05%) linmin: converged after 4 iterations. iteration 256: trace = 2.485946116174774 (5.97468e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.485944524338768 (6.40334e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485943911939749 (2.46345e-05% change) large trace change predicted (5.0313e-05%) linmin: converged after 15 iterations. iteration 259: trace = 2.485942661183049 (5.03132e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.485941103862217 (6.26451e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485940744162713 (1.44694e-05% change) large trace change predicted (8.07906e-05%) linmin: converged after 3 iterations. iteration 262: trace = 2.485938736422496 (8.07638e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.485937070192094 (6.70262e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.485936394434843 (2.71832e-05% change) large trace change predicted (7.49784e-05%) linmin: converged after 8 iterations. iteration 265: trace = 2.485934530771025 (7.49683e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.485932254701447 (9.15579e-05% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485931133415977 (4.51052e-05% change) large trace change predicted (0.000103874%) linmin: converged after 4 iterations. iteration 268: trace = 2.485928553014296 (0.0001038% change) linmin: converged after 3 iterations. iteration 269: trace = 2.485926983853744 (6.31217e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485926089404439 (3.59805e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485924390151787 (6.83549e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.485923218224088 (4.71425e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.485922138723549 (4.34245e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485920888319217 (5.02994e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.485920113174555 (3.11814e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485918807819563 (5.25099e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485917542684775 (5.08921e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.485917216708569 (1.31129e-05% change) large trace change predicted (3.23434e-05%) linmin: converged after 2 iterations. iteration 279: trace = 2.485916412678185 (3.23434e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915854614772 (2.2449e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.485915604839614 (1.00476e-05% change) large trace change predicted (3.13564e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.485914825426478 (3.13532e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.485913935720369 (3.57899e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.485913602026633 (1.34234e-05% change) large trace change predicted (4.71743e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.485912430014779 (4.71461e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.485911610531108 (3.29651e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.485911233500578 (1.51667e-05% change) large trace change predicted (3.64809e-05%) linmin: converged after 4 iterations. iteration 288: trace = 2.485910326580237 (3.64824e-05% change) linmin: converged after 4 iterations. iteration 289: trace = 2.485909660726284 (2.67851e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485908543743136 (4.49326e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.48590702865525 (6.09471e-05% change) linmin: converged after 6 iterations. iteration 292: trace = 2.485906460482644 (2.28557e-05% change) linmin: converged after 5 iterations. iteration 293: trace = 2.485905405789129 (4.24269e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485904090084648 (5.29266e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.4859038167858 (1.09939e-05% change) large trace change predicted (3.55819e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902932019473 (3.55913e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.485902210676486 (2.90173e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.485901645474348 (2.27363e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.485901281643706 (1.46358e-05% change) large trace change predicted (3.45878e-05%) linmin: converged after 3 iterations. iteration 300: trace = 2.485900421822486 (3.45879e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.485900255980168 (6.67132e-06% change) large trace change predicted (2.61477e-05%) linmin: converged after 5 iterations. iteration 302: trace = 2.485899605899899 (2.61507e-05% change) linmin: converged after 6 iterations. iteration 303: trace = 2.485898894206893 (2.86292e-05% change) linmin: converged after 4 iterations. iteration 304: trace = 2.485898680576151 (8.5937e-06% change) large trace change predicted (3.4018e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.485897834986386 (3.40155e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.485897110045423 (2.91621e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.485896884702557 (9.06485e-06% change) large trace change predicted (2.94314e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.485896153256249 (2.94238e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.485895610553827 (2.18313e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.485895372859215 (9.56173e-06% change) large trace change predicted (2.56914e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.485894734361974 (2.56848e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.485893943895731 (3.17981e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.48589372298764 (8.88647e-06% change) large trace change predicted (1.8117e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.485893272793051 (1.811e-05% change) linmin: converged after 7 iterations. iteration 315: trace = 2.485892693143444 (2.33176e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485892581999734 (4.47098e-06% change) large trace change predicted (2.28637e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.485892013736819 (2.28595e-05% change) linmin: converged after 9 iterations. iteration 318: trace = 2.485891796052413 (8.75679e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.485891534558626 (1.05191e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.485891109768906 (1.7088e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.485890687364705 (1.69921e-05% change) linmin: converged after 11 iterations. iteration 322: trace = 2.485890419178516 (1.07883e-05% change) large trace change predicted (2.48834e-05%) linmin: converged after 3 iterations. iteration 323: trace = 2.485889800734375 (2.48782e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.485889500881436 (1.20622e-05% change) linmin: converged after 5 iterations. iteration 325: trace = 2.485889304231886 (7.91063e-06% change) large trace change predicted (1.89391e-05%) linmin: converged after 3 iterations. iteration 326: trace = 2.485888833500975 (1.89361e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.485888532237391 (1.21189e-05% change) linmin: converged after 3 iterations. iteration 328: trace = 2.485888224327214 (1.23863e-05% change) large trace change predicted (2.88287e-05%) linmin: converged after 3 iterations. iteration 329: trace = 2.485887507641941 (2.88302e-05% change) linmin: converged after 3 iterations. iteration 330: trace = 2.485887321590134 (7.48432e-06% change) large trace change predicted (2.62286e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.485886669509031 (2.62313e-05% change) linmin: converged after 17 iterations. iteration 332: trace = 2.485886271546526 (1.60089e-05% change) linmin: converged after 23 iterations. iteration 333: trace = 2.485886036669849 (9.44841e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.485885727686369 (1.24295e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.485885463547331 (1.06256e-05% change) linmin: converged after 5 iterations. iteration 336: trace = 2.48588538035897 (3.34643e-06% change) large trace change predicted (7.91677e-06%) linmin: converged after 3 iterations. iteration 337: trace = 2.485885183544672 (7.91727e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.485884977341013 (8.29498e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.4858849238718 (2.15091e-06% change) large trace change predicted (1.14147e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.485884640050627 (1.14173e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.485884455890573 (7.40823e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.48588431959591 (5.48274e-06% change) large trace change predicted (1.25046e-05%) linmin: converged after 3 iterations. iteration 343: trace = 2.485884008707377 (1.25062e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.485883631919509 (1.51571e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883543829701 (3.5436e-06% change) large trace change predicted (1.38635e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.485883199158217 (1.38652e-05% change) linmin: converged after 5 iterations. iteration 347: trace = 2.485883040870831 (6.36745e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.485882925940942 (4.6233e-06% change) large trace change predicted (3.41652e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.485882076662393 (3.41641e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.485881531845951 (2.19164e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.485881420376806 (4.48409e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.485881210121353 (8.45798e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881016334936 (7.79548e-06% change) linmin: converged after 23 iterations. iteration 354: trace = 2.485880937761203 (3.1608e-06% change) large trace change predicted (1.07913e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.485880669553119 (1.07893e-05% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880540272528 (5.2006e-06% change) linmin: converged after 12 iterations. iteration 357: trace = 2.485880411295024 (5.1884e-06% change) linmin: converged after 16 iterations. iteration 358: trace = 2.485880205524116 (8.27759e-06% change) linmin: converged after 5 iterations. iteration 359: trace = 2.485880077288831 (5.15855e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.485879944471353 (5.34288e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.485879801549053 (5.74936e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485879707457223 (3.78505e-06% change) linmin: converged after 13 iterations. iteration 363: trace = 2.485879634528129 (2.93373e-06% change) large trace change predicted (8.03772e-06%) linmin: converged after 4 iterations. iteration 364: trace = 2.485879434740679 (8.03689e-06% change) linmin: converged after 28 iterations. iteration 365: trace = 2.485879331367719 (4.15841e-06% change) large trace change predicted (9.29068e-06%) linmin: converged after 4 iterations. iteration 366: trace = 2.485879100454452 (9.289e-06% change) linmin: converged after 5 iterations. iteration 367: trace = 2.485878837064779 (1.05954e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485878729131869 (4.34184e-06% change) large trace change predicted (1.2098e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878428408305 (1.20973e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878073758307 (1.42666e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.485877981221552 (3.7225e-06% change) large trace change predicted (1.13229e-05%) linmin: converged after 25 iterations. iteration 372: trace = 2.485877699742548 (1.13231e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.485877484507991 (8.65829e-06% change) linmin: converged after 4 iterations. iteration 374: trace = 2.485877418337438 (2.66186e-06% change) large trace change predicted (7.70211e-06%) linmin: converged after 4 iterations. iteration 375: trace = 2.485877226856576 (7.70275e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877013790351 (8.57107e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.485876955746806 (2.33493e-06% change) large trace change predicted (1.01283e-05%) linmin: converged after 4 iterations. iteration 378: trace = 2.485876703951327 (1.0129e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.485876519710565 (7.4115e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876419522392 (4.0303e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.48587629009486 (5.20652e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876114997457 (7.04369e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876067118848 (1.92603e-06% change) large trace change predicted (5.9119e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485875920162212 (5.91166e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485875699790946 (8.86493e-06% change) linmin: converged after 2 iterations. iteration 386: trace = 2.485875637547403 (2.50389e-06% change) large trace change predicted (1.44752e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.485875277674114 (1.44767e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.48587516732283 (4.43913e-06% change) large trace change predicted (1.0271e-05%) linmin: converged after 4 iterations. iteration 389: trace = 2.485874911966766 (1.02723e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874724965145 (7.52257e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874585810329 (5.59782e-06% change) linmin: converged after 2 iterations. iteration 392: trace = 2.485874475007122 (4.45731e-06% change) large trace change predicted (9.21703e-06%) linmin: converged after 5 iterations. iteration 393: trace = 2.485874245862277 (9.21788e-06% change) linmin: converged after 2 iterations. iteration 394: trace = 2.485874097138778 (5.98274e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.485874018548325 (3.16148e-06% change) large trace change predicted (9.11319e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.485873792000316 (9.11342e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873650025204 (5.71128e-06% change) linmin: converged after 2 iterations. iteration 398: trace = 2.485873575026428 (3.017e-06% change) large trace change predicted (6.83041e-06%) linmin: converged after 3 iterations. iteration 399: trace = 2.485873405232691 (6.83035e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.485873334427557 (2.8483e-06% change) linmin: converged after 8 iterations. iteration 401: trace = 2.485873226746033 (4.33174e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.485873102627311 (4.99296e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873013082879 (3.60213e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.485872848650845 (6.61466e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872606465885 (9.74245e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.485872500525659 (4.26169e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.485872340775921 (6.4263e-06% change) linmin: converged after 4 iterations. iteration 408: trace = 2.485872127636879 (8.57401e-06% change) linmin: converged after 27 iterations. iteration 409: trace = 2.485871977664941 (6.03297e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.48587178743392 (7.65249e-06% change) linmin: converged after 14 iterations. iteration 411: trace = 2.485871653136878 (5.40241e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871591977778 (2.46027e-06% change) large trace change predicted (5.14357e-06%) linmin: converged after 4 iterations. iteration 413: trace = 2.485871464120002 (5.14338e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871293319661 (6.87084e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.485871249562674 (1.76023e-06% change) large trace change predicted (6.72001e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.48587108249018 (6.72088e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.485870984250105 (3.95194e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485870952548725 (1.27526e-06% change) large trace change predicted (3.18047e-06%) linmin: converged after 2 iterations. iteration 419: trace = 2.485870873482373 (3.18063e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 420: trace = 2.485870826185133 (1.90264e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.485870804992696 (8.52516e-07% change) large trace change predicted (3.67275e-06%) linmin: converged after 16 iterations. iteration 422: trace = 2.485870713703668 (3.67232e-06% change) linmin: converged after 6 iterations. iteration 423: trace = 2.485870649459652 (2.58437e-06% change) linmin: converged after 26 iterations. iteration 424: trace = 2.485870579195577 (2.82654e-06% change) large trace change predicted (6.14005e-06%) linmin: converged after 3 iterations. iteration 425: trace = 2.48587042658298 (6.1392e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870387733369 (1.56282e-06% change) large trace change predicted (3.80478e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.48587029315704 (3.80456e-06% change) linmin: converged after 2 iterations. iteration 428: trace = 2.485870201672891 (3.68017e-06% change) linmin: converged after 10 iterations. iteration 429: trace = 2.485870167072535 (1.39188e-06% change) large trace change predicted (5.75033e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.485870024103886 (5.75125e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.485869898548686 (5.05075e-06% change) linmin: converged after 4 iterations. iteration 432: trace = 2.485869844610689 (2.16978e-06% change) large trace change predicted (5.09535e-06%) linmin: converged after 5 iterations. iteration 433: trace = 2.485869717931538 (5.09597e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869570860758 (5.91627e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.485869538405462 (1.30559e-06% change) large trace change predicted (5.01784e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.48586941365184 (5.01851e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.485869353111046 (2.4354e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.485869325966736 (1.09194e-06% change) large trace change predicted (2.91817e-06%) linmin: converged after 2 iterations. iteration 439: trace = 2.485869253421938 (2.91829e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.485869187405435 (2.65567e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.485869154122661 (1.33888e-06% change) large trace change predicted (3.93182e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.485869056381857 (3.93186e-06% change) linmin: converged after 7 iterations. iteration 443: trace = 2.485868990631439 (2.64497e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.485868950514359 (1.61381e-06% change) large trace change predicted (3.49854e-06%) linmin: converged after 11 iterations. iteration 445: trace = 2.48586886354771 (3.49844e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.48586877851952 (3.42046e-06% change) linmin: converged after 9 iterations. iteration 447: trace = 2.485868752222224 (1.05787e-06% change) large trace change predicted (3.20654e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.485868672520881 (3.20618e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.485868616373929 (2.25865e-06% change) linmin: converged after 7 iterations. iteration 450: trace = 2.485868588677285 (1.11416e-06% change) large trace change predicted (3.17835e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.485868509679706 (3.17787e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.48586843517151 (2.99727e-06% change) linmin: converged after 2 iterations. iteration 453: trace = 2.485868392214075 (1.72807e-06% change) linmin: converged after 20 iterations. iteration 454: trace = 2.485868313100681 (3.18253e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868274828585 (1.53959e-06% change) linmin: converged after 2 iterations. iteration 456: trace = 2.485868253101239 (8.74034e-07% change) large trace change predicted (2.03344e-06%) linmin: converged after 8 iterations. iteration 457: trace = 2.485868202554756 (2.03335e-06% change) linmin: converged after 7 iterations. iteration 458: trace = 2.485868180754217 (8.76979e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.485868151906752 (1.16046e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586810987279 (1.69092e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.485868059976598 (2.00719e-06% change) linmin: converged after 11 iterations. iteration 462: trace = 2.485868030641332 (1.18008e-06% change) large trace change predicted (3.03729e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.485867955143797 (3.03707e-06% change) linmin: converged after 7 iterations. iteration 464: trace = 2.485867933956875 (8.52295e-07% change) linmin: converged after 18 iterations. iteration 465: trace = 2.485867898022732 (1.44554e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867844866589 (2.13833e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867827753335 (6.88422e-07% change) large trace change predicted (2.05603e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.48586777664503 (2.05595e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.485867700976697 (3.04394e-06% change) linmin: converged after 6 iterations. iteration 470: trace = 2.485867681369146 (7.88761e-07% change) large trace change predicted (2.85284e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867610450966 (2.85285e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867560946671 (1.99143e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867528400795 (1.30924e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.485867502088975 (1.05846e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.485867470495856 (1.27091e-06% change) linmin: converged after 17 iterations. iteration 476: trace = 2.485867464037915 (2.59786e-07% change) large trace change predicted (8.49973e-07%) linmin: converged after 3 iterations. iteration 477: trace = 2.485867442908187 (8.49994e-07% change) linmin: converged after 5 iterations. iteration 478: trace = 2.485867424065592 (7.57989e-07% change) linmin: converged after 24 iterations. iteration 479: trace = 2.485867415467713 (3.4587e-07% change) large trace change predicted (1.17432e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.485867386273996 (1.17439e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.485867357807119 (1.14515e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867343996171 (5.55579e-07% change) linmin: converged after 2 iterations. iteration 483: trace = 2.485867316968237 (1.08726e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.48586729751084 (7.82721e-07% change) linmin: converged after 3 iterations. iteration 485: trace = 2.485867273695258 (9.58039e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.485867232206363 (1.66899e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.485867213588743 (7.48939e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867197120823 (6.62462e-07% change) large trace change predicted (3.32071e-06%) linmin: converged after 3 iterations. iteration 489: trace = 2.48586711456449 (3.32103e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.485867057641508 (2.28986e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867045958281 (4.69986e-07% change) large trace change predicted (1.18401e-06%) linmin: converged after 2 iterations. iteration 492: trace = 2.485867016525217 (1.18402e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.485866998923883 (7.08056e-07% change) linmin: converged after 6 iterations. iteration 494: trace = 2.48586698163748 (6.95387e-07% change) linmin: converged after 4 iterations. iteration 495: trace = 2.485866953304781 (1.13975e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.485866942582915 (4.31313e-07% change) linmin: converged after 12 iterations. iteration 497: trace = 2.485866926918081 (6.30156e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.4858669057752 (8.50523e-07% change) linmin: converged after 5 iterations. iteration 499: trace = 2.485866895686453 (4.05844e-07% change) linmin: converged after 10 iterations. iteration 500: trace = 2.485866878962881 (6.72746e-07% change) linmin: converged after 4 iterations. iteration 501: trace = 2.485866862334349 (6.68923e-07% change) linmin: converged after 23 iterations. iteration 502: trace = 2.485866855253454 (2.84846e-07% change) linmin: converged after 5 iterations. iteration 503: trace = 2.485866841566453 (5.50593e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.485866821485023 (8.07824e-07% change) linmin: converged after 9 iterations. iteration 505: trace = 2.485866815467968 (2.42051e-07% change) large trace change predicted (1.31005e-06%) linmin: converged after 5 iterations. iteration 506: trace = 2.485866782902573 (1.31002e-06% change) linmin: converged after 13 iterations. iteration 507: trace = 2.485866758698175 (9.7368e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866745310048 (5.3857e-07% change) large trace change predicted (1.65922e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.485866704064841 (1.65919e-06% change) linmin: converged after 10 iterations. iteration 510: trace = 2.485866675385664 (1.15369e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.485866651966378 (9.42097e-07% change) linmin: converged after 2 iterations. iteration 512: trace = 2.485866617539643 (1.3849e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.48586659685221 (8.32202e-07% change) linmin: converged after 23 iterations. iteration 514: trace = 2.485866587209584 (3.87898e-07% change) large trace change predicted (9.62888e-07%) linmin: converged after 3 iterations. iteration 515: trace = 2.485866563272827 (9.62914e-07% change) linmin: converged after 2 iterations. iteration 516: trace = 2.485866544787994 (7.43597e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.485866532302611 (5.02255e-07% change) large trace change predicted (1.12845e-06%) linmin: converged after 19 iterations. iteration 518: trace = 2.485866504250144 (1.12848e-06% change) linmin: converged after 7 iterations. iteration 519: trace = 2.485866482402194 (8.78887e-07% change) linmin: converged after 7 iterations. iteration 520: trace = 2.485866470636628 (4.73298e-07% change) linmin: converged after 18 iterations. iteration 521: trace = 2.485866457128474 (5.43398e-07% change) linmin: converged after 2 iterations. iteration 522: trace = 2.485866434636247 (9.04804e-07% change) linmin: converged after 16 iterations. iteration 523: trace = 2.485866429450478 (2.0861e-07% change) large trace change predicted (7.45031e-07%) linmin: converged after 4 iterations. iteration 524: trace = 2.485866410930361 (7.45017e-07% change) linmin: converged after 6 iterations. iteration 525: trace = 2.485866386554031 (9.80597e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.485866379448863 (2.85823e-07% change) large trace change predicted (1.33751e-06%) linmin: converged after 3 iterations. iteration 527: trace = 2.485866346199174 (1.33755e-06% change) linmin: converged after 5 iterations. iteration 528: trace = 2.485866325278606 (8.41581e-07% change) linmin: converged after 16 iterations. iteration 529: trace = 2.485866308319103 (6.82237e-07% change) linmin: converged after 26 iterations. iteration 530: trace = 2.485866286243084 (8.88061e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.48586627228336 (5.61564e-07% change) linmin: converged after 3 iterations. iteration 532: trace = 2.485866254795329 (7.03498e-07% change) linmin: converged after 2 iterations. iteration 533: trace = 2.485866225060005 (1.19618e-06% change) linmin: converged after 4 iterations. iteration 534: trace = 2.485866219383023 (2.2837e-07% change) large trace change predicted (8.98148e-07%) linmin: converged after 5 iterations. iteration 535: trace = 2.485866197055422 (8.98182e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.485866174206045 (9.19172e-07% change) linmin: converged after 4 iterations. iteration 537: trace = 2.485866165051766 (3.68253e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866146926398 (7.29137e-07% change) linmin: converged after 3 iterations. iteration 539: trace = 2.485866128585155 (7.37821e-07% change) linmin: converged after 2 iterations. iteration 540: trace = 2.485866122226289 (2.55801e-07% change) large trace change predicted (5.71085e-07%) linmin: converged after 8 iterations. iteration 541: trace = 2.485866108030621 (5.71055e-07% change) linmin: converged after 18 iterations. iteration 542: trace = 2.485866092245941 (6.34977e-07% change) linmin: converged after 4 iterations. iteration 543: trace = 2.48586607536496 (6.79078e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.485866067343571 (3.2268e-07% change) large trace change predicted (1.28422e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.485866035423817 (1.28405e-06% change) linmin: converged after 8 iterations. iteration 546: trace = 2.485866028410034 (2.82146e-07% change) large trace change predicted (7.52651e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485866009701284 (7.52605e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.485865979770214 (1.20405e-06% change) linmin: converged after 2 iterations. iteration 549: trace = 2.485865972807352 (2.80098e-07% change) large trace change predicted (9.17409e-07%) linmin: converged after 9 iterations. iteration 550: trace = 2.485865950002962 (9.17362e-07% change) linmin: converged after 13 iterations. iteration 551: trace = 2.485865934630411 (6.18398e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.485865925309786 (3.74945e-07% change) linmin: converged after 3 iterations. iteration 553: trace = 2.485865913881186 (4.59743e-07% change) linmin: converged after 7 iterations. iteration 554: trace = 2.485865893445994 (8.22055e-07% change) linmin: converged after 16 iterations. iteration 555: trace = 2.48586588884364 (1.85141e-07% change) large trace change predicted (6.37125e-07%) linmin: converged after 8 iterations. iteration 556: trace = 2.485865873004923 (6.37151e-07% change) linmin: converged after 13 iterations. iteration 557: trace = 2.485865861804665 (4.50558e-07% change) linmin: converged after 13 iterations. iteration 558: trace = 2.485865858472451 (1.34046e-07% change) large trace change predicted (3.23355e-07%) linmin: converged after 2 iterations. iteration 559: trace = 2.485865850434236 (3.23357e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.485865844733147 (2.2934e-07% change) linmin: converged after 2 iterations. iteration 561: trace = 2.485865842155373 (1.03697e-07% change) large trace change predicted (4.06423e-07%) linmin: converged after 5 iterations. iteration 562: trace = 2.485865832052445 (4.06415e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.485865820573998 (4.61748e-07% change) linmin: converged after 10 iterations. iteration 564: trace = 2.485865816588163 (1.6034e-07% change) large trace change predicted (6.88603e-07%) linmin: converged after 3 iterations. iteration 565: trace = 2.485865799471213 (6.88571e-07% change) linmin: converged after 4 iterations. iteration 566: trace = 2.485865790408108 (3.64585e-07% change) linmin: converged after 12 iterations. iteration 567: trace = 2.485865783371182 (2.83077e-07% change) linmin: converged after 6 iterations. iteration 568: trace = 2.485865772529407 (4.36137e-07% change) linmin: converged after 3 iterations. iteration 569: trace = 2.485865761566611 (4.41005e-07% change) linmin: converged after 15 iterations. iteration 570: trace = 2.485865756451572 (2.05765e-07% change) large trace change predicted (8.11517e-07%) linmin: converged after 17 iterations. iteration 571: trace = 2.485865736277328 (8.11558e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865726603568 (3.89151e-07% change) linmin: converged after 17 iterations. iteration 573: trace = 2.485865719003215 (3.05743e-07% change) large trace change predicted (6.89724e-07%) linmin: converged after 6 iterations. iteration 574: trace = 2.485865701856612 (6.89764e-07% change) linmin: converged after 3 iterations. iteration 575: trace = 2.48586569682056 (2.02587e-07% change) large trace change predicted (4.2037e-07%) linmin: converged after 30 iterations. iteration 576: trace = 2.48586568637046 (4.20381e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865676963987 (3.78398e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.485865669449849 (3.02274e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.485865666637312 (1.13141e-07% change) large trace change predicted (4.02875e-07%) linmin: converged after 2 iterations. iteration 580: trace = 2.485865656622382 (4.02875e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.485865649578717 (2.83349e-07% change) linmin: converged after 3 iterations. iteration 582: trace = 2.485865643796943 (2.32586e-07% change) linmin: converged after 4 iterations. iteration 583: trace = 2.485865634275493 (3.83024e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865629936387 (1.74551e-07% change) linmin: converged after 5 iterations. iteration 585: trace = 2.485865621585913 (3.35918e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.485865612131176 (3.8034e-07% change) linmin: converged after 19 iterations. iteration 587: trace = 2.485865607162968 (1.99858e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.485865600321092 (2.75231e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.485865592565611 (3.11983e-07% change) linmin: converged after 4 iterations. iteration 590: trace = 2.485865582337389 (4.11455e-07% change) linmin: converged after 4 iterations. iteration 591: trace = 2.485865579894424 (9.82742e-08% change) large trace change predicted (4.71046e-07%) linmin: converged after 4 iterations. iteration 592: trace = 2.485865568185215 (4.71031e-07% change) linmin: converged after 4 iterations. iteration 593: trace = 2.485865561376026 (2.73916e-07% change) linmin: converged after 10 iterations. iteration 594: trace = 2.485865557644762 (1.50099e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865551599242 (2.43196e-07% change) linmin: converged after 10 iterations. iteration 596: trace = 2.485865547584703 (1.61495e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865545003239 (1.03846e-07% change) large trace change predicted (2.22066e-07%) linmin: converged after 11 iterations. iteration 598: trace = 2.485865539483061 (2.22063e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.485865537475806 (8.07468e-08% change) linmin: converged after 10 iterations. iteration 600: trace = 2.48586553400883 (1.39468e-07% change) large trace change predicted (3.1433e-07%) linmin: converged after 29 iterations. iteration 601: trace = 2.485865526195186 (3.14323e-07% change) linmin: converged after 6 iterations. iteration 602: trace = 2.485865524444503 (7.04255e-08% change) large trace change predicted (3.51691e-07%) linmin: converged after 29 iterations. iteration 603: trace = 2.4858655157022 (3.5168e-07% change) linmin: converged after 3 iterations. iteration 604: trace = 2.485865512036334 (1.47468e-07% change) linmin: converged after 3 iterations. iteration 605: trace = 2.485865509036929 (1.20658e-07% change) large trace change predicted (2.49265e-07%) linmin: converged after 4 iterations. iteration 606: trace = 2.485865502840596 (2.49263e-07% change) linmin: converged after 4 iterations. iteration 607: trace = 2.485865496739603 (2.45427e-07% change) linmin: converged after 3 iterations. iteration 608: trace = 2.485865493544551 (1.28529e-07% change) large trace change predicted (3.03295e-07%) linmin: converged after 2 iterations. iteration 609: trace = 2.485865486005023 (3.03296e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.485865478281951 (3.10679e-07% change) linmin: converged after 9 iterations. iteration 611: trace = 2.485865475093133 (1.28278e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.485865470269514 (1.94042e-07% change) linmin: converged after 3 iterations. iteration 613: trace = 2.485865464656645 (2.25791e-07% change) linmin: converged after 6 iterations. iteration 614: trace = 2.485865463457966 (4.82198e-08% change) large trace change predicted (1.26418e-07%) linmin: converged after 3 iterations. iteration 615: trace = 2.485865460315384 (1.26418e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865457854387 (9.89996e-08% change) linmin: converged after 10 iterations. iteration 617: trace = 2.485865457051189 (3.23106e-08% change) large trace change predicted (8.13637e-08%) linmin: converged after 6 iterations. iteration 618: trace = 2.485865455028589 (8.1364e-08% change) large trace change predicted (1.66334e-07%) linmin: converged after 6 iterations. iteration 619: trace = 2.48586545089363 (1.66339e-07% change) linmin: converged after 7 iterations. iteration 620: trace = 2.485865449391608 (6.04225e-08% change) large trace change predicted (1.2434e-07%) linmin: converged after 3 iterations. iteration 621: trace = 2.485865446300608 (1.24343e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.485865443530234 (1.11445e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865442437396 (4.3962e-08% change) large trace change predicted (1.5659e-07%) linmin: converged after 9 iterations. iteration 624: trace = 2.485865438544738 (1.56592e-07% change) linmin: converged after 5 iterations. iteration 625: trace = 2.485865434233767 (1.73419e-07% change) linmin: converged after 3 iterations. iteration 626: trace = 2.485865432921712 (5.27806e-08% change) large trace change predicted (1.31241e-07%) linmin: converged after 4 iterations. iteration 627: trace = 2.485865429659247 (1.31241e-07% change) linmin: converged after 10 iterations. iteration 628: trace = 2.485865424074237 (2.24671e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.4858654189613 (2.0568e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 630: trace = 2.485865414673208 (1.72499e-07% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865410031079 (1.86741e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.485865407406708 (1.05572e-07% change) linmin: converged after 2 iterations. iteration 633: trace = 2.485865406361928 (4.20288e-08% change) large trace change predicted (1.56999e-07%) linmin: converged after 10 iterations. iteration 634: trace = 2.48586540245919 (1.56997e-07% change) linmin: converged after 6 iterations. iteration 635: trace = 2.48586540108244 (5.53831e-08% change) linmin: converged after 4 iterations. iteration 636: trace = 2.485865398698173 (9.5913e-08% change) linmin: converged after 10 iterations. iteration 637: trace = 2.485865396559737 (8.60238e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865395319194 (4.99039e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.485865393100004 (8.92723e-08% change) linmin: converged after 6 iterations. iteration 640: trace = 2.485865391050644 (8.24405e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865390159427 (3.58514e-08% change) large trace change predicted (7.74287e-08%) linmin: converged after 8 iterations. iteration 642: trace = 2.485865388234679 (7.74277e-08% change) linmin: converged after 4 iterations. iteration 643: trace = 2.485865386666726 (6.30747e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865385934395 (2.94598e-08% change) large trace change predicted (8.40095e-08%) linmin: converged after 13 iterations. iteration 645: trace = 2.485865383846058 (8.40084e-08% change) linmin: converged after 10 iterations. iteration 646: trace = 2.485865380374393 (1.39656e-07% change) linmin: converged after 3 iterations. iteration 647: trace = 2.48586537917629 (4.81966e-08% change) large trace change predicted (1.63278e-07%) linmin: converged after 4 iterations. iteration 648: trace = 2.48586537511743 (1.63278e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865371056728 (1.63352e-07% change) linmin: converged after 5 iterations. iteration 650: trace = 2.485865369229074 (7.35218e-08% change) large trace change predicted (1.70757e-07%) linmin: converged after 4 iterations. iteration 651: trace = 2.485865364984301 (1.70756e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.48586536070935 (1.7197e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.485865359806858 (3.63049e-08% change) large trace change predicted (9.38812e-08%) linmin: converged after 3 iterations. iteration 654: trace = 2.485865357473095 (9.38813e-08% change) linmin: converged after 7 iterations. iteration 655: trace = 2.485865354642338 (1.13874e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865353927379 (2.8761e-08% change) large trace change predicted (1.40748e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.485865350428529 (1.4075e-07% change) linmin: converged after 12 iterations. iteration 658: trace = 2.485865347466102 (1.19171e-07% change) linmin: converged after 16 iterations. iteration 659: trace = 2.485865346417917 (4.21658e-08% change) large trace change predicted (9.11613e-08%) linmin: converged after 4 iterations. iteration 660: trace = 2.485865344151758 (9.11618e-08% change) linmin: converged after 2 iterations. iteration 661: trace = 2.485865342060137 (8.41406e-08% change) linmin: converged after 9 iterations. iteration 662: trace = 2.485865341421666 (2.56841e-08% change) large trace change predicted (8.67118e-08%) linmin: converged after 4 iterations. iteration 663: trace = 2.485865339266117 (8.67122e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865336522592 (1.10365e-07% change) linmin: converged after 3 iterations. iteration 665: trace = 2.485865335180294 (5.39972e-08% change) linmin: converged after 5 iterations. iteration 666: trace = 2.485865332796258 (9.59037e-08% change) linmin: converged after 13 iterations. iteration 667: trace = 2.485865329674657 (1.25574e-07% change) linmin: converged after 6 iterations. iteration 668: trace = 2.485865328824774 (3.41886e-08% change) large trace change predicted (1.80662e-07%) linmin: converged after 4 iterations. iteration 669: trace = 2.485865324333723 (1.80663e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.485865321742925 (1.04221e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865320592151 (4.62927e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.48586531844413 (8.64094e-08% change) linmin: converged after 4 iterations. iteration 673: trace = 2.48586531527262 (1.27582e-07% change) linmin: converged after 18 iterations. iteration 674: trace = 2.485865314729993 (2.18285e-08% change) large trace change predicted (1.36886e-07%) linmin: converged after 5 iterations. iteration 675: trace = 2.485865311327138 (1.36888e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.485865309542765 (7.17808e-08% change) linmin: converged after 19 iterations. iteration 677: trace = 2.485865308831797 (2.86004e-08% change) large trace change predicted (1.20553e-07%) linmin: converged after 5 iterations. iteration 678: trace = 2.485865305835011 (1.20553e-07% change) linmin: converged after 8 iterations. iteration 679: trace = 2.485865303591792 (9.0239e-08% change) linmin: converged after 6 iterations. iteration 680: trace = 2.485865302919009 (2.70643e-08% change) large trace change predicted (6.50814e-08%) linmin: converged after 11 iterations. iteration 681: trace = 2.485865301301208 (6.508e-08% change) linmin: converged after 7 iterations. iteration 682: trace = 2.485865299454421 (7.42915e-08% change) linmin: converged after 5 iterations. iteration 683: trace = 2.485865298778789 (2.71789e-08% change) large trace change predicted (9.57574e-08%) linmin: converged after 7 iterations. iteration 684: trace = 2.485865296398433 (9.57556e-08% change) linmin: converged after 4 iterations. iteration 685: trace = 2.485865294618838 (7.15885e-08% change) linmin: converged after 6 iterations. iteration 686: trace = 2.485865292437984 (8.77302e-08% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865289262637 (1.27736e-07% change) linmin: converged after 22 iterations. iteration 688: trace = 2.485865287396805 (7.50576e-08% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865285632241 (7.09839e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865283336916 (9.23351e-08% change) linmin: converged after 4 iterations. iteration 691: trace = 2.485865281778118 (6.27064e-08% change) linmin: converged after 4 iterations. iteration 692: trace = 2.485865280724808 (4.2372e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.485865279314348 (5.67392e-08% change) linmin: converged after 24 iterations. iteration 694: trace = 2.485865277591477 (6.93067e-08% change) linmin: converged after 4 iterations. iteration 695: trace = 2.485865276676544 (3.68054e-08% change) large trace change predicted (8.90046e-08%) linmin: converged after 3 iterations. iteration 696: trace = 2.485865274463961 (8.90065e-08% change) linmin: converged after 4 iterations. iteration 697: trace = 2.485865273159759 (5.24647e-08% change) linmin: converged after 13 iterations. iteration 698: trace = 2.485865272743319 (1.67523e-08% change) linmin: converged after 5 iterations. iteration 699: trace = 2.485865272023116 (2.89719e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865271415558 (2.44405e-08% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865271117603 (1.1986e-08% change) large trace change predicted (5.14264e-08%) linmin: converged after 4 iterations. iteration 702: trace = 2.485865269839217 (5.14262e-08% change) linmin: converged after 39 iterations. iteration 703: trace = 2.485865268744354 (4.40435e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.485865267852897 (3.5861e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.485865266289203 (6.29034e-08% change) linmin: converged after 31 iterations. iteration 706: trace = 2.485865265494137 (3.19835e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865264658684 (3.36082e-08% change) large trace change predicted (7.3697e-08%) linmin: converged after 4 iterations. iteration 708: trace = 2.485865262826664 (7.36975e-08% change) linmin: converged after 11 iterations. iteration 709: trace = 2.485865262458677 (1.48032e-08% change) large trace change predicted (6.33553e-08%) linmin: converged after 4 iterations. iteration 710: trace = 2.485865260883734 (6.33559e-08% change) linmin: converged after 5 iterations. iteration 711: trace = 2.48586525897413 (7.68185e-08% change) linmin: converged after 4 iterations. iteration 712: trace = 2.48586525712356 (7.44437e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865256513271 (2.45504e-08% change) large trace change predicted (7.99782e-08%) linmin: converged after 12 iterations. iteration 714: trace = 2.485865254525071 (7.99802e-08% change) linmin: converged after 24 iterations. iteration 715: trace = 2.485865253806515 (2.89057e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.485865252938782 (3.49067e-08% change) linmin: converged after 3 iterations. iteration 717: trace = 2.485865251860567 (4.33738e-08% change) linmin: converged after 2 iterations. iteration 718: trace = 2.485865251188401 (2.70395e-08% change) linmin: converged after 5 iterations. iteration 719: trace = 2.485865250555583 (2.54566e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865249319797 (4.97125e-08% change) linmin: converged after 26 iterations. iteration 721: trace = 2.48586524848038 (3.37676e-08% change) linmin: converged after 3 iterations. iteration 722: trace = 2.485865248003488 (1.91842e-08% change) large trace change predicted (4.66138e-08%) linmin: converged after 24 iterations. iteration 723: trace = 2.485865246844736 (4.66136e-08% change) linmin: converged after 4 iterations. iteration 724: trace = 2.48586524597349 (3.5048e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865245063576 (3.66035e-08% change) linmin: converged after 3 iterations. iteration 726: trace = 2.485865244054649 (4.05865e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.485865243725575 (1.32378e-08% change) large trace change predicted (3.13246e-08%) linmin: converged after 6 iterations. iteration 728: trace = 2.485865242946899 (3.13242e-08% change) linmin: converged after 10 iterations. iteration 729: trace = 2.485865241719817 (4.93623e-08% change) linmin: converged after 6 iterations. iteration 730: trace = 2.485865240670502 (4.22113e-08% change) linmin: converged after 3 iterations. iteration 731: trace = 2.485865240223687 (1.79742e-08% change) large trace change predicted (3.89778e-08%) linmin: converged after 5 iterations. iteration 732: trace = 2.485865239254756 (3.89776e-08% change) linmin: converged after 5 iterations. iteration 733: trace = 2.485865238307129 (3.81206e-08% change) linmin: converged after 4 iterations. iteration 734: trace = 2.485865237943885 (1.46124e-08% change) large trace change predicted (3.65838e-08%) linmin: converged after 26 iterations. iteration 735: trace = 2.485865237034468 (3.65835e-08% change) linmin: converged after 24 iterations. iteration 736: trace = 2.485865236627105 (1.63872e-08% change) linmin: converged after 16 iterations. iteration 737: trace = 2.485865236250152 (1.51639e-08% change) linmin: converged after 4 iterations. iteration 738: trace = 2.485865235607335 (2.58589e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865235096384 (2.05543e-08% change) linmin: converged after 6 iterations. iteration 740: trace = 2.485865234862481 (9.40931e-09% change) large trace change predicted (3.93846e-08%) linmin: converged after 4 iterations. iteration 741: trace = 2.485865233883437 (3.93845e-08% change) linmin: converged after 4 iterations. iteration 742: trace = 2.485865233228887 (2.63308e-08% change) linmin: converged after 8 iterations. iteration 743: trace = 2.485865232804265 (1.70815e-08% change) linmin: converged after 6 iterations. iteration 744: trace = 2.485865232250929 (2.22593e-08% change) linmin: converged after 3 iterations. iteration 745: trace = 2.485865231732347 (2.08612e-08% change) linmin: converged after 4 iterations. iteration 746: trace = 2.485865231288686 (1.78473e-08% change) large trace change predicted (3.58944e-08%) linmin: converged after 9 iterations. iteration 747: trace = 2.485865230396402 (3.58943e-08% change) linmin: converged after 4 iterations. iteration 748: trace = 2.485865229966914 (1.72772e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.485865229389344 (2.32342e-08% change) linmin: converged after 34 iterations. iteration 750: trace = 2.485865228489613 (3.61939e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.485865228039602 (1.81028e-08% change) linmin: converged after 3 iterations. iteration 752: trace = 2.485865227351344 (2.76869e-08% change) linmin: converged after 10 iterations. iteration 753: trace = 2.485865226803621 (2.20335e-08% change) linmin: converged after 20 iterations. iteration 754: trace = 2.485865226590944 (8.55543e-09% change) linmin: converged after 5 iterations. iteration 755: trace = 2.485865226384067 (8.32212e-09% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226057106 (1.31528e-08% change) linmin: converged after 6 iterations. iteration 757: trace = 2.485865225762772 (1.18403e-08% change) linmin: converged after 4 iterations. iteration 758: trace = 2.485865225642683 (4.83087e-09% change) large trace change predicted (1.46655e-08%) linmin: converged after 4 iterations. iteration 759: trace = 2.485865225278115 (1.46657e-08% change) linmin: converged after 12 iterations. iteration 760: trace = 2.485865224985111 (1.17868e-08% change) linmin: converged after 26 iterations. iteration 761: trace = 2.485865224863446 (4.89425e-09% change) large trace change predicted (1.99094e-08%) linmin: converged after 4 iterations. iteration 762: trace = 2.48586522436852 (1.99096e-08% change) linmin: converged after 2 iterations. iteration 763: trace = 2.485865223949761 (1.68456e-08% change) linmin: converged after 7 iterations. iteration 764: trace = 2.485865223741473 (8.37888e-09% change) large trace change predicted (2.27835e-08%) linmin: converged after 2 iterations. iteration 765: trace = 2.485865223175105 (2.27835e-08% change) linmin: converged after 3 iterations. iteration 766: trace = 2.48586522293947 (9.479e-09% change) linmin: converged after 3 iterations. iteration 767: trace = 2.485865222696591 (9.77039e-09% change) large trace change predicted (2.52911e-08%) linmin: converged after 27 iterations. iteration 768: trace = 2.485865222067885 (2.52912e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.485865221437768 (2.5348e-08% change) resetting CG direction... linmin: converged after 22 iterations. iteration 770: trace = 2.485865220865312 (2.30284e-08% change) linmin: converged after 12 iterations. iteration 771: trace = 2.485865220310167 (2.23321e-08% change) linmin: converged after 5 iterations. iteration 772: trace = 2.485865220107325 (8.1598e-09% change) linmin: converged after 3 iterations. iteration 773: trace = 2.485865219903554 (8.1972e-09% change) large trace change predicted (1.74089e-08%) linmin: converged after 4 iterations. iteration 774: trace = 2.485865219470791 (1.74089e-08% change) linmin: converged after 3 iterations. iteration 775: trace = 2.485865219288953 (7.3149e-09% change) linmin: converged after 4 iterations. iteration 776: trace = 2.485865219062259 (9.11933e-09% change) linmin: converged after 7 iterations. iteration 777: trace = 2.485865218810099 (1.01437e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.485865218608225 (8.12088e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865218348002 (1.04681e-08% change) linmin: converged after 8 iterations. iteration 780: trace = 2.485865218041855 (1.23155e-08% change) linmin: converged after 20 iterations. iteration 781: trace = 2.485865217959228 (3.32385e-09% change) large trace change predicted (9.75258e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.485865217716791 (9.75265e-09% change) linmin: converged after 7 iterations. iteration 783: trace = 2.4858652175314 (7.4578e-09% change) linmin: converged after 20 iterations. iteration 784: trace = 2.485865217452788 (3.16237e-09% change) large trace change predicted (1.04855e-08%) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217192133 (1.04855e-08% change) linmin: converged after 19 iterations. iteration 786: trace = 2.485865216834291 (1.4395e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.485865216734612 (4.00986e-09% change) large trace change predicted (2.1219e-08%) linmin: converged after 4 iterations. iteration 788: trace = 2.485865216207141 (2.12188e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.485865215795744 (1.65494e-08% change) linmin: converged after 2 iterations. iteration 790: trace = 2.485865215593066 (8.15323e-09% change) large trace change predicted (2.28273e-08%) linmin: converged after 31 iterations. iteration 791: trace = 2.485865215025612 (2.28272e-08% change) linmin: converged after 4 iterations. iteration 792: trace = 2.485865214614533 (1.65366e-08% change) linmin: converged after 5 iterations. iteration 793: trace = 2.485865214494209 (4.84032e-09% change) large trace change predicted (1.01532e-08%) linmin: converged after 13 iterations. iteration 794: trace = 2.485865214241815 (1.01532e-08% change) linmin: converged after 6 iterations. iteration 795: trace = 2.485865213852176 (1.56742e-08% change) linmin: converged after 18 iterations. iteration 796: trace = 2.485865213720877 (5.28184e-09% change) large trace change predicted (1.39191e-08%) linmin: converged after 7 iterations. iteration 797: trace = 2.485865213374864 (1.39192e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.485865212945815 (1.72595e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.48586521266099 (1.14578e-08% change) linmin: converged after 13 iterations. iteration 800: trace = 2.485865212567412 (3.7644e-09% change) large trace change predicted (1.12588e-08%) linmin: converged after 4 iterations. iteration 801: trace = 2.485865212287532 (1.12588e-08% change) linmin: converged after 18 iterations. iteration 802: trace = 2.485865212026706 (1.04924e-08% change) linmin: converged after 5 iterations. iteration 803: trace = 2.485865211904198 (4.92819e-09% change) linmin: converged after 2 iterations. iteration 804: trace = 2.485865211667466 (9.52312e-09% change) linmin: converged after 4 iterations. iteration 805: trace = 2.485865211201899 (1.87286e-08% change) linmin: converged after 16 iterations. iteration 806: trace = 2.485865211081857 (4.82897e-09% change) large trace change predicted (1.51917e-08%) linmin: converged after 9 iterations. iteration 807: trace = 2.485865210704213 (1.51917e-08% change) linmin: converged after 12 iterations. iteration 808: trace = 2.485865210293881 (1.65066e-08% change) linmin: converged after 4 iterations. iteration 809: trace = 2.485865210138886 (6.23504e-09% change) large trace change predicted (1.39669e-08%) linmin: converged after 2 iterations. iteration 810: trace = 2.485865209791687 (1.39669e-08% change) linmin: converged after 22 iterations. iteration 811: trace = 2.485865209588846 (8.15979e-09% change) linmin: converged after 4 iterations. iteration 812: trace = 2.48586520947013 (4.77565e-09% change) large trace change predicted (1.35224e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.485865209133982 (1.35224e-08% change) linmin: converged after 38 iterations. iteration 814: trace = 2.485865208976297 (6.34326e-09% change) linmin: converged after 24 iterations. iteration 815: trace = 2.485865208786199 (7.64718e-09% change) linmin: converged after 3 iterations. iteration 816: trace = 2.485865208499631 (1.15279e-08% change) linmin: converged after 3 iterations. iteration 817: trace = 2.485865208337084 (6.53884e-09% change) linmin: converged after 8 iterations. iteration 818: trace = 2.48586520806555 (1.09231e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.485865207759708 (1.23032e-08% change) linmin: converged after 18 iterations. iteration 820: trace = 2.485865207673526 (3.46689e-09% change) large trace change predicted (9.07615e-09%) linmin: converged after 12 iterations. iteration 821: trace = 2.485865207447906 (9.07611e-09% change) linmin: converged after 16 iterations. iteration 822: trace = 2.485865207210614 (9.54565e-09% change) linmin: converged after 17 iterations. iteration 823: trace = 2.485865207067391 (5.76149e-09% change) linmin: converged after 7 iterations. iteration 824: trace = 2.485865206864954 (8.14355e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.48586520646312 (1.61647e-08% change) linmin: converged after 23 iterations. iteration 826: trace = 2.485865206110911 (1.41685e-08% change) linmin: converged after 17 iterations. iteration 827: trace = 2.485865205972392 (5.57226e-09% change) large trace change predicted (1.2491e-08%) linmin: converged after 4 iterations. iteration 828: trace = 2.485865205661884 (1.2491e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.485865205349487 (1.25669e-08% change) linmin: converged after 4 iterations. iteration 830: trace = 2.48586520529418 (2.22485e-09% change) large trace change predicted (1.08175e-08%) linmin: converged after 4 iterations. iteration 831: trace = 2.485865205025275 (1.08174e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.485865204878929 (5.88715e-09% change) linmin: converged after 21 iterations. iteration 833: trace = 2.485865204765346 (4.56913e-09% change) linmin: converged after 6 iterations. iteration 834: trace = 2.485865204589559 (7.07148e-09% change) linmin: converged after 5 iterations. iteration 835: trace = 2.485865204344899 (9.84206e-09% change) linmin: converged after 4 iterations. iteration 836: trace = 2.485865204291943 (2.13026e-09% change) large trace change predicted (6.47316e-09%) linmin: converged after 3 iterations. iteration 837: trace = 2.485865204131031 (6.4731e-09% change) linmin: converged after 17 iterations. iteration 838: trace = 2.485865204034483 (3.88387e-09% change) linmin: converged after 15 iterations. iteration 839: trace = 2.485865203980557 (2.16931e-09% change) resetting CG direction... linmin: converged after 15 iterations. iteration 840: trace = 2.485865203928408 (2.09782e-09% change) linmin: converged after 19 iterations. iteration 841: trace = 2.48586520383685 (3.68316e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.485865203699446 (5.52739e-09% change) linmin: converged after 22 iterations. iteration 843: trace = 2.485865203646733 (2.12051e-09% change) large trace change predicted (8.22698e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865203442224 (8.2269e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865203352047 (3.62758e-09% change) linmin: converged after 27 iterations. iteration 846: trace = 2.485865203230271 (4.89872e-09% change) linmin: converged after 6 iterations. iteration 847: trace = 2.485865203104849 (5.04542e-09% change) linmin: converged after 14 iterations. iteration 848: trace = 2.485865203052855 (2.09158e-09% change) large trace change predicted (7.5325e-09%) linmin: converged after 5 iterations. iteration 849: trace = 2.48586520286561 (7.5324e-09% change) linmin: converged after 2 iterations. iteration 850: trace = 2.485865202654902 (8.47622e-09% change) linmin: converged after 23 iterations. iteration 851: trace = 2.485865202588483 (2.67186e-09% change) large trace change predicted (9.92203e-09%) linmin: converged after 4 iterations. iteration 852: trace = 2.485865202341836 (9.922e-09% change) linmin: converged after 19 iterations. iteration 853: trace = 2.48586520214702 (7.83692e-09% change) linmin: converged after 19 iterations. iteration 854: trace = 2.485865202073664 (2.95096e-09% change) large trace change predicted (9.42943e-09%) linmin: converged after 6 iterations. iteration 855: trace = 2.485865201839256 (9.4296e-09% change) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201700119 (5.59713e-09% change) linmin: converged after 2 iterations. iteration 857: trace = 2.485865201646803 (2.14477e-09% change) large trace change predicted (5.53964e-09%) linmin: converged after 4 iterations. iteration 858: trace = 2.485865201509094 (5.53968e-09% change) linmin: converged after 22 iterations. iteration 859: trace = 2.485865201369287 (5.62409e-09% change) linmin: converged after 18 iterations. iteration 860: trace = 2.485865201238217 (5.2726e-09% change) linmin: converged after 8 iterations. iteration 861: trace = 2.485865201183991 (2.18137e-09% change) large trace change predicted (7.48986e-09%) linmin: converged after 21 iterations. iteration 862: trace = 2.485865200997803 (7.48987e-09% change) linmin: converged after 27 iterations. iteration 863: trace = 2.485865200916401 (3.27461e-09% change) linmin: converged after 13 iterations. iteration 864: trace = 2.485865200850357 (2.65678e-09% change) linmin: converged after 36 iterations. iteration 865: trace = 2.485865200719296 (5.27225e-09% change) linmin: converged after 6 iterations. iteration 866: trace = 2.485865200655839 (2.55272e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200571492 (3.39304e-09% change) linmin: converged after 4 iterations. iteration 868: trace = 2.485865200458637 (4.53987e-09% change) linmin: converged after 3 iterations. iteration 869: trace = 2.485865200338493 (4.8331e-09% change) linmin: converged after 9 iterations. iteration 870: trace = 2.485865200280188 (2.34548e-09% change) large trace change predicted (5.40977e-09%) linmin: converged after 12 iterations. iteration 871: trace = 2.485865200145709 (5.40973e-09% change) linmin: converged after 13 iterations. iteration 872: trace = 2.485865200015914 (5.22133e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199974659 (1.65957e-09% change) large trace change predicted (4.14224e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199871688 (4.14226e-09% change) linmin: converged after 16 iterations. iteration 875: trace = 2.485865199781076 (3.64509e-09% change) linmin: converged after 2 iterations. iteration 876: trace = 2.485865199752428 (1.15243e-09% change) large trace change predicted (3.26878e-09%) linmin: converged after 2 iterations. iteration 877: trace = 2.485865199671171 (3.26879e-09% change) linmin: converged after 12 iterations. iteration 878: trace = 2.485865199583092 (3.54317e-09% change) linmin: converged after 19 iterations. iteration 879: trace = 2.485865199559318 (9.5638e-10% change) large trace change predicted (3.28816e-09%) linmin: converged after 15 iterations. iteration 880: trace = 2.485865199477579 (3.28814e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199386177 (3.67687e-09% change) linmin: converged after 2 iterations. iteration 882: trace = 2.485865199345654 (1.63014e-09% change) large trace change predicted (4.75452e-09%) linmin: converged after 6 iterations. iteration 883: trace = 2.485865199227466 (4.75442e-09% change) linmin: converged after 13 iterations. iteration 884: trace = 2.485865199191147 (1.461e-09% change) linmin: converged after 5 iterations. iteration 885: trace = 2.485865199140393 (2.04169e-09% change) linmin: converged after 3 iterations. iteration 886: trace = 2.485865199062937 (3.11587e-09% change) linmin: converged after 24 iterations. iteration 887: trace = 2.485865198999102 (2.56793e-09% change) linmin: converged after 3 iterations. iteration 888: trace = 2.485865198939075 (2.41472e-09% change) large trace change predicted (4.94698e-09%) linmin: converged after 16 iterations. iteration 889: trace = 2.4858651988161 (4.94699e-09% change) linmin: converged after 3 iterations. iteration 890: trace = 2.485865198734328 (3.28948e-09% change) linmin: converged after 7 iterations. iteration 891: trace = 2.485865198693158 (1.65615e-09% change) large trace change predicted (3.65933e-09%) linmin: converged after 4 iterations. iteration 892: trace = 2.485865198602191 (3.65938e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.48586519854553 (2.27934e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198526149 (7.79646e-10% change) large trace change predicted (1.63767e-09%) linmin: converged after 4 iterations. iteration 895: trace = 2.485865198485438 (1.6377e-09% change) linmin: converged after 6 iterations. iteration 896: trace = 2.485865198446647 (1.56047e-09% change) linmin: converged after 5 iterations. iteration 897: trace = 2.485865198404874 (1.6804e-09% change) linmin: converged after 15 iterations. iteration 898: trace = 2.485865198381024 (9.59435e-10% change) linmin: converged after 21 iterations. iteration 899: trace = 2.485865198340132 (1.64499e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198291408 (1.96005e-09% change) linmin: converged after 9 iterations. iteration 901: trace = 2.485865198268051 (9.39569e-10% change) linmin: converged after 24 iterations. iteration 902: trace = 2.485865198230728 (1.50143e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865198181385 (1.98493e-09% change) linmin: converged after 6 iterations. iteration 904: trace = 2.485865198160242 (8.50514e-10% change) large trace change predicted (2.59649e-09%) linmin: converged after 8 iterations. iteration 905: trace = 2.485865198095696 (2.59654e-09% change) linmin: converged after 2 iterations. iteration 906: trace = 2.485865198069126 (1.06884e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865198038041 (1.25047e-09% change) large trace change predicted (3.02402e-09%) linmin: converged after 5 iterations. iteration 908: trace = 2.485865197962871 (3.02392e-09% change) linmin: converged after 12 iterations. iteration 909: trace = 2.485865197867926 (3.81937e-09% change) resetting CG direction... linmin: converged after 27 iterations. iteration 910: trace = 2.485865197779493 (3.55744e-09% change) linmin: converged after 3 iterations. iteration 911: trace = 2.485865197714815 (2.60183e-09% change) linmin: converged after 4 iterations. iteration 912: trace = 2.485865197690492 (9.78443e-10% change) linmin: converged after 9 iterations. iteration 913: trace = 2.485865197667755 (9.14666e-10% change) large trace change predicted (2.03791e-09%) linmin: converged after 19 iterations. iteration 914: trace = 2.485865197617092 (2.03803e-09% change) linmin: converged after 18 iterations. iteration 915: trace = 2.485865197603817 (5.34008e-10% change) large trace change predicted (1.636e-09%) linmin: converged after 3 iterations. iteration 916: trace = 2.485865197563149 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 917: trace = 2.485865197534232 (1.16329e-09% change) linmin: converged after 9 iterations. iteration 918: trace = 2.485865197517445 (6.75281e-10% change) large trace change predicted (1.50937e-09%) linmin: converged after 4 iterations. iteration 919: trace = 2.485865197479924 (1.50936e-09% change) linmin: converged after 3 iterations. iteration 920: trace = 2.485865197449738 (1.21433e-09% change) linmin: converged after 18 iterations. iteration 921: trace = 2.485865197431222 (7.44846e-10% change) linmin: converged after 3 iterations. iteration 922: trace = 2.485865197398013 (1.33593e-09% change) linmin: converged after 15 iterations. iteration 923: trace = 2.485865197383809 (5.71363e-10% change) linmin: converged after 12 iterations. iteration 924: trace = 2.485865197363209 (8.28684e-10% change) linmin: converged after 6 iterations. iteration 925: trace = 2.485865197330011 (1.33547e-09% change) linmin: converged after 4 iterations. iteration 926: trace = 2.485865197285912 (1.77399e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.485865197268385 (7.05097e-10% change) large trace change predicted (2.3754e-09%) linmin: converged after 3 iterations. iteration 928: trace = 2.485865197209335 (2.37543e-09% change) linmin: converged after 18 iterations. iteration 929: trace = 2.485865197152 (2.30642e-09% change) linmin: converged after 15 iterations. iteration 930: trace = 2.485865197128124 (9.60489e-10% change) large trace change predicted (2.02515e-09%) linmin: converged after 13 iterations. iteration 931: trace = 2.485865197077779 (2.02522e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197025277 (2.11204e-09% change) linmin: converged after 3 iterations. iteration 933: trace = 2.485865197014812 (4.20979e-10% change) large trace change predicted (1.51339e-09%) linmin: converged after 15 iterations. iteration 934: trace = 2.485865196977192 (1.51336e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196943954 (1.33709e-09% change) linmin: converged after 4 iterations. iteration 936: trace = 2.485865196894677 (1.98227e-09% change) linmin: converged after 20 iterations. iteration 937: trace = 2.48586519688186 (5.15607e-10% change) large trace change predicted (2.08236e-09%) linmin: converged after 6 iterations. iteration 938: trace = 2.485865196830097 (2.08228e-09% change) linmin: converged after 19 iterations. iteration 939: trace = 2.485865196800589 (1.18705e-09% change) linmin: converged after 2 iterations. iteration 940: trace = 2.485865196785388 (6.11504e-10% change) large trace change predicted (1.64881e-09%) linmin: converged after 11 iterations. iteration 941: trace = 2.485865196744399 (1.64885e-09% change) linmin: converged after 9 iterations. iteration 942: trace = 2.485865196717632 (1.07679e-09% change) linmin: converged after 5 iterations. iteration 943: trace = 2.485865196692838 (9.97397e-10% change) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196652658 (1.61633e-09% change) linmin: converged after 15 iterations. iteration 945: trace = 2.485865196606591 (1.85318e-09% change) linmin: converged after 18 iterations. iteration 946: trace = 2.485865196590932 (6.29887e-10% change) large trace change predicted (1.85795e-09%) linmin: converged after 15 iterations. iteration 947: trace = 2.485865196544747 (1.85792e-09% change) linmin: converged after 10 iterations. iteration 948: trace = 2.485865196504116 (1.6345e-09% change) linmin: converged after 15 iterations. iteration 949: trace = 2.485865196479669 (9.83409e-10% change) linmin: converged after 14 iterations. iteration 950: trace = 2.4858651964373 (1.70441e-09% change) linmin: converged after 6 iterations. iteration 951: trace = 2.485865196421519 (6.34853e-10% change) linmin: converged after 6 iterations. iteration 952: trace = 2.485865196401864 (7.90668e-10% change) linmin: converged after 21 iterations. iteration 953: trace = 2.485865196364467 (1.50438e-09% change) linmin: converged after 4 iterations. iteration 954: trace = 2.485865196329271 (1.41584e-09% change) linmin: converged after 18 iterations. iteration 955: trace = 2.485865196314101 (6.10236e-10% change) linmin: converged after 21 iterations. iteration 956: trace = 2.485865196290834 (9.35996e-10% change) linmin: converged after 16 iterations. iteration 957: trace = 2.485865196244984 (1.84441e-09% change) linmin: converged after 10 iterations. iteration 958: trace = 2.4858651962366 (3.37265e-10% change) large trace change predicted (1.55062e-09%) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196198053 (1.55066e-09% change) linmin: converged after 21 iterations. iteration 960: trace = 2.485865196165143 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 961: trace = 2.485865196154426 (4.31108e-10% change) large trace change predicted (1.15665e-09%) linmin: converged after 21 iterations. iteration 962: trace = 2.485865196125674 (1.15662e-09% change) linmin: converged after 8 iterations. iteration 963: trace = 2.485865196089094 (1.47154e-09% change) linmin: converged after 10 iterations. iteration 964: trace = 2.485865196076043 (5.25004e-10% change) large trace change predicted (1.88293e-09%) linmin: converged after 7 iterations. iteration 965: trace = 2.485865196029238 (1.88285e-09% change) linmin: converged after 21 iterations. iteration 966: trace = 2.485865195985069 (1.77677e-09% change) linmin: converged after 7 iterations. iteration 967: trace = 2.485865195949636 (1.42541e-09% change) linmin: converged after 10 iterations. iteration 968: trace = 2.485865195932265 (6.98791e-10% change) large trace change predicted (1.48707e-09%) linmin: converged after 18 iterations. iteration 969: trace = 2.4858651958953 (1.48699e-09% change) linmin: converged after 6 iterations. iteration 970: trace = 2.485865195875271 (8.0571e-10% change) linmin: converged after 5 iterations. iteration 971: trace = 2.485865195858119 (6.89966e-10% change) linmin: converged after 9 iterations. iteration 972: trace = 2.485865195839179 (7.61924e-10% change) linmin: converged after 11 iterations. iteration 973: trace = 2.485865195818592 (8.28148e-10% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195808338 (4.12493e-10% change) large trace change predicted (1.15629e-09%) linmin: converged after 4 iterations. iteration 975: trace = 2.485865195779595 (1.15627e-09% change) linmin: converged after 7 iterations. iteration 976: trace = 2.485865195767748 (4.76591e-10% change) linmin: converged after 10 iterations. iteration 977: trace = 2.485865195754008 (5.52712e-10% change) linmin: converged after 11 iterations. iteration 978: trace = 2.485865195742006 (4.82808e-10% change) linmin: converged after 4 iterations. iteration 979: trace = 2.485865195735699 (2.53731e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195729538 (2.47817e-10% change) linmin: converged after 7 iterations. iteration 981: trace = 2.485865195718167 (4.5744e-10% change) linmin: converged after 10 iterations. iteration 982: trace = 2.485865195706118 (4.84702e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.48586519569485 (4.53278e-10% change) large trace change predicted (9.8525e-10%) linmin: converged after 16 iterations. iteration 984: trace = 2.48586519567036 (9.85178e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195662614 (3.11612e-10% change) large trace change predicted (6.89496e-10%) linmin: converged after 25 iterations. iteration 986: trace = 2.485865195645474 (6.89465e-10% change) linmin: converged after 10 iterations. iteration 987: trace = 2.485865195630695 (5.94533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195623671 (2.82546e-10% change) large trace change predicted (8.36744e-10%) linmin: converged after 12 iterations. iteration 989: trace = 2.485865195602871 (8.36741e-10% change) linmin: converged after 3 iterations. iteration 990: trace = 2.485865195577373 (1.02573e-09% change) linmin: converged after 12 iterations. iteration 991: trace = 2.485865195569374 (3.21795e-10% change) large trace change predicted (1.18579e-09%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195539894 (1.18587e-09% change) linmin: converged after 16 iterations. iteration 993: trace = 2.485865195513663 (1.05524e-09% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195504994 (3.48734e-10% change) large trace change predicted (1.19964e-09%) linmin: converged after 22 iterations. iteration 995: trace = 2.485865195475174 (1.19955e-09% change) linmin: converged after 5 iterations. iteration 996: trace = 2.485865195453173 (8.85047e-10% change) linmin: converged after 6 iterations. iteration 997: trace = 2.485865195444979 (3.29637e-10% change) linmin: converged after 5 iterations. iteration 998: trace = 2.485865195431235 (5.52873e-10% change) linmin: converged after 17 iterations. iteration 999: trace = 2.48586519541321 (7.25087e-10% change) linmin: converged after 6 iterations. iteration 1000: trace = 2.485865195407233 (2.40475e-10% change) large trace change predicted (7.1572e-10%) linmin: converged after 4 iterations. iteration 1001: trace = 2.485865195389439 (7.15798e-10% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.485865195366087 (9.39391e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.48586519535643 (3.88465e-10% change) linmin: converged after 16 iterations. iteration 1004: trace = 2.485865195348283 (3.27743e-10% change) linmin: converged after 16 iterations. iteration 1005: trace = 2.485865195332919 (6.18061e-10% change) linmin: converged after 12 iterations. iteration 1006: trace = 2.485865195325522 (2.97552e-10% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.485865195315592 (3.9947e-10% change) linmin: converged after 18 iterations. iteration 1008: trace = 2.485865195302418 (5.29953e-10% change) linmin: converged after 14 iterations. iteration 1009: trace = 2.48586519528831 (5.67504e-10% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.485865195282737 (2.242e-10% change) large trace change predicted (7.19285e-10%) linmin: converged after 6 iterations. iteration 1011: trace = 2.485865195264858 (7.19228e-10% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.485865195247599 (6.94289e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865195239529 (3.24635e-10% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.485865195229751 (3.93342e-10% change) linmin: converged after 3 iterations. iteration 1015: trace = 2.485865195216892 (5.17304e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865195212109 (1.92401e-10% change) linmin: converged after 6 iterations. iteration 1017: trace = 2.485865195203397 (3.50431e-10% change) linmin: converged after 3 iterations. iteration 1018: trace = 2.48586519519056 (5.16429e-10% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.485865195187408 (1.26767e-10% change) large trace change predicted (3.78648e-10%) linmin: converged after 18 iterations. iteration 1020: trace = 2.485865195177993 (3.78747e-10% change) linmin: converged after 10 iterations. iteration 1021: trace = 2.485865195163123 (5.98177e-10% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.485865195156914 (2.498e-10% change) linmin: converged after 3 iterations. iteration 1023: trace = 2.48586519514668 (4.11671e-10% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.485865195138649 (3.23081e-10% change) linmin: converged after 8 iterations. iteration 1025: trace = 2.485865195132884 (2.31918e-10% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.485865195127163 (2.30131e-10% change) large trace change predicted (4.92127e-10%) linmin: converged after 4 iterations. iteration 1027: trace = 2.48586519511493 (4.92115e-10% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.485865195111738 (1.28393e-10% change) large trace change predicted (5.51697e-10%) linmin: converged after 3 iterations. iteration 1029: trace = 2.48586519509802 (5.51819e-10% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.485865195086531 (4.62192e-10% change) linmin: converged after 12 iterations. iteration 1031: trace = 2.485865195082156 (1.76002e-10% change) large trace change predicted (4.23674e-10%) linmin: converged after 5 iterations. iteration 1032: trace = 2.485865195071622 (4.2373e-10% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.485865195063092 (3.43143e-10% change) linmin: converged after 8 iterations. iteration 1034: trace = 2.485865195058281 (1.93563e-10% change) linmin: converged after 3 iterations. iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) Finished solving for bands 1 to 10 after 1035 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: 7.834503889083862 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860521618544 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953190274542 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889502713794 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356527115023 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948739451574 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.59637195673933 (0.0222125% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542822108817 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152272227645 (0.0150481% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847304055892 (0.0117521% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454354679778 (0.0151446% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326218334966 (0.00493898% change) large trace change predicted (0.0216464%) linmin: converged after 4 iterations. iteration 12: trace = 2.59377725804431 (0.0211623% change) linmin: converged after 4 iterations. iteration 13: trace = 2.59351194519011 (0.0102293% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177804948497 (0.0128845% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759541877131 (0.0161307% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616450337081 (0.00551904% change) large trace change predicted (0.0234744%) linmin: converged after 6 iterations. iteration 17: trace = 2.592030992157174 (0.0225843% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838798349907 (0.00741507% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510380906076 (0.012672% change) linmin: converged after 24 iterations. iteration 20: trace = 2.591143477406139 (0.0141589% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058370891482 (0.00328457% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787468655928 (0.0104558% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682206926354 (0.00406301% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536715489336 (0.00561611% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316103030832 (0.00851645% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262773503845 (0.00205883% change) large trace change predicted (0.00488929%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136126018992 (0.00488949% change) linmin: converged after 3 iterations. iteration 28: trace = 2.59006415221636 (0.0027788% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589967059741261 (0.00374872% change) linmin: converged after 6 iterations. iteration 30: trace = 2.58984703354588 (0.00463438% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779805109319 (0.00259588% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656245739652 (0.00477115% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592317183004 (0.00246864% change) large trace change predicted (0.0058733%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438799786502 (0.00592842% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299452439772 (0.00538152% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151667919612 (0.00570767% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877424791422 (0.0105926% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758943947076 (0.00457664% change) large trace change predicted (0.0103813%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487298044556 (0.0104938% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238628793924 (0.0096072% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129511987392 (0.00421596% change) large trace change predicted (0.00966115%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877945573201 (0.00972048% change) linmin: converged after 4 iterations. iteration 43: trace = 2.587755245936565 (0.00474143% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559949936852 (0.00754721% change) linmin: converged after 4 iterations. iteration 45: trace = 2.587201554185449 (0.0138517% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078783260084 (0.00474543% change) large trace change predicted (0.0134462%) linmin: converged after 11 iterations. iteration 47: trace = 2.586730945154498 (0.0134461% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416748640698 (0.0121472% change) linmin: converged after 4 iterations. iteration 49: trace = 2.58617269284236 (0.0094365% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801979697706 (0.0143355% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704615333812 (0.00376542% change) large trace change predicted (0.00796062%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499823527465 (0.00792047% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309103142582 (0.00737681% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225685346267 (0.00322666% change) large trace change predicted (0.00858072%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005388880063 (0.00852173% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916436170431 (0.00344116% change) linmin: converged after 3 iterations. iteration 57: trace = 2.584748118065533 (0.00651176% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504243703837 (0.00943558% change) linmin: converged after 5 iterations. iteration 59: trace = 2.58441870929796 (0.00330956% change) large trace change predicted (0.00842777%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201832061457 (0.00839207% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099116928128 (0.00397481% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934387426116 (0.00637494% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709086143977 (0.00871969% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615303596189 (0.00362983% change) large trace change predicted (0.00904912%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383065985255 (0.00898927% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261817052908 (0.00469353% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112578823719 (0.00577729% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958408053899 (0.00596859% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869907040918 (0.0034264% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791348541924 (0.00304157% change) linmin: converged after 4 iterations. iteration 71: trace = 2.582689741007504 (0.0039341% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487366629814 (0.00783611% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430453958849 (0.00220382% change) large trace change predicted (0.00655171%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260864559661 (0.00656726% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582143021268454 (0.00456367% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089107295908 (0.00208798% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989431924498 (0.00386034% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949472930305 (0.00154762% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896459257402 (0.00205326% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814632582808 (0.0031693% change) linmin: converged after 8 iterations. iteration 81: trace = 2.581795111738478 (0.000756093% change) large trace change predicted (0.00246215%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731376217022 (0.00246868% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679824632536 (0.0019968% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660367994335 (0.000753645% change) large trace change predicted (0.00226661%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601717821526 (0.00227183% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512345867647 (0.00346194% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471227992637 (0.0015928% change) large trace change predicted (0.00460237%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352116263461 (0.00461421% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296779531606 (0.00214373% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194600924959 (0.0039585% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064488612853 (0.00504091% change) linmin: converged after 5 iterations. iteration 92: trace = 2.581038716555532 (0.00099851% change) large trace change predicted (0.0040394%) linmin: converged after 5 iterations. iteration 93: trace = 2.58093458776426 (0.00403446% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892432238924 (0.00163336% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844724890247 (0.0018485% change) linmin: converged after 6 iterations. iteration 96: trace = 2.580750183705137 (0.00366325% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717828611179 (0.00125372% change) large trace change predicted (0.0030374%) linmin: converged after 5 iterations. iteration 98: trace = 2.580639620565305 (0.00303052% change) linmin: converged after 3 iterations. iteration 99: trace = 2.58058680556341 (0.00204661% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568646580939 (0.000703679% change) large trace change predicted (0.00145474%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531174749226 (0.00145209% change) linmin: converged after 6 iterations. iteration 102: trace = 2.580515821400738 (0.00059497% change) linmin: converged after 3 iterations. iteration 103: trace = 2.580499610257485 (0.000628215% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473844714205 (0.000998476% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463057663908 (0.000418027% change) large trace change predicted (0.00115936%) linmin: converged after 5 iterations. iteration 106: trace = 2.580433181712845 (0.00115778% change) linmin: converged after 4 iterations. iteration 107: trace = 2.580404842706844 (0.00109823% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391220614823 (0.000527907% change) large trace change predicted (0.00162401%) linmin: converged after 6 iterations. iteration 109: trace = 2.58034938545596 (0.00162129% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298612764278 (0.00196769% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288508159597 (0.000391607% change) large trace change predicted (0.00143953%) linmin: converged after 4 iterations. iteration 112: trace = 2.580251404412864 (0.00143798% change) linmin: converged after 3 iterations. iteration 113: trace = 2.58023664525397 (0.000572006% change) linmin: converged after 11 iterations. iteration 114: trace = 2.580210094826152 (0.001029% change) linmin: converged after 3 iterations. iteration 115: trace = 2.58015741422241 (0.00204174% change) linmin: converged after 4 iterations. iteration 116: trace = 2.58014461711526 (0.000495983% change) large trace change predicted (0.00229676%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085296752692 (0.00229914% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043058127242 (0.00163712% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026058405644 (0.000658895% change) large trace change predicted (0.00241022%) linmin: converged after 3 iterations. iteration 120: trace = 2.57996378178859 (0.00241383% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916640550724 (0.00182722% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904056238242 (0.000487781% change) large trace change predicted (0.00145245%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866542252547 (0.0014541% change) linmin: converged after 4 iterations. iteration 124: trace = 2.579847592337901 (0.000734534% change) linmin: converged after 3 iterations. iteration 125: trace = 2.579816281551699 (0.00121368% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774349284264 (0.00162541% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579756590919291 (0.000688371% change) large trace change predicted (0.00190679%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707395141529 (0.00190701% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579653617637238 (0.00208466% change) linmin: converged after 4 iterations. iteration 130: trace = 2.579637916552168 (0.000608653% change) large trace change predicted (0.00175039%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592840731829 (0.00174739% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574096929589 (0.000726621% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568114449036 (0.000231918% change) large trace change predicted (0.001722%) linmin: converged after 4 iterations. iteration 134: trace = 2.579523666343963 (0.0017231% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512581470192 (0.000429727% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493216582579 (0.000750722% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467345140199 (0.00100297% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459760113513 (0.000294054% change) large trace change predicted (0.00116611%) linmin: converged after 8 iterations. iteration 139: trace = 2.579429699942999 (0.00116537% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579415960578535 (0.000532653% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409114902801 (0.000265397% change) linmin: converged after 7 iterations. iteration 142: trace = 2.579396475750914 (0.000490003% change) linmin: converged after 4 iterations. iteration 143: trace = 2.579389496853502 (0.000270564% change) linmin: converged after 6 iterations. iteration 144: trace = 2.579378564721089 (0.000423827% change) linmin: converged after 4 iterations. iteration 145: trace = 2.57935911532702 (0.000754037% change) linmin: converged after 4 iterations. iteration 146: trace = 2.579354333271482 (0.000185397% change) large trace change predicted (0.000499916%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341448525281 (0.000499535% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579326843829279 (0.00056622% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321332211588 (0.000213685% change) large trace change predicted (0.000602531%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305792334234 (0.000602481% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579295529599734 (0.000397888% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281579557514 (0.000540848% change) linmin: converged after 4 iterations. iteration 153: trace = 2.579262991642048 (0.000720665% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257834287736 (0.000199955% change) large trace change predicted (0.000501703%) linmin: converged after 5 iterations. iteration 155: trace = 2.579244893868627 (0.000501712% change) linmin: converged after 12 iterations. iteration 156: trace = 2.579230291884151 (0.000566136% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225933151878 (0.000168994% change) large trace change predicted (0.000602353%) linmin: converged after 28 iterations. iteration 158: trace = 2.579210404201151 (0.00060208% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202201581079 (0.000318029% change) linmin: converged after 3 iterations. iteration 160: trace = 2.579194288343271 (0.00030681% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234657636 (0.000428572% change) linmin: converged after 3 iterations. iteration 162: trace = 2.579177094550377 (0.000238064% change) linmin: converged after 4 iterations. iteration 163: trace = 2.57916659339966 (0.000407152% change) linmin: converged after 6 iterations. iteration 164: trace = 2.579151163030524 (0.000598271% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579147648594193 (0.000136263% change) large trace change predicted (0.000303338%) linmin: converged after 4 iterations. iteration 166: trace = 2.57913982732519 (0.000303251% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579133123981774 (0.000259907% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130526048661 (0.000100729% change) large trace change predicted (0.000322419%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122206736161 (0.000322563% change) linmin: converged after 4 iterations. iteration 170: trace = 2.579119316372324 (0.000112068% change) linmin: converged after 4 iterations. iteration 171: trace = 2.579114500842551 (0.000186712% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109325546197 (0.000200662% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579107944741859 (5.3538e-05% change) large trace change predicted (0.000194876%) linmin: converged after 3 iterations. iteration 174: trace = 2.579102915570909 (0.000194997% change) linmin: converged after 11 iterations. iteration 175: trace = 2.579098411465147 (0.000174639% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096620862684 (6.94275e-05% change) large trace change predicted (0.000229779%) linmin: converged after 3 iterations. iteration 177: trace = 2.57909068903246 (0.000229997% change) linmin: converged after 3 iterations. iteration 178: trace = 2.57908722597381 (0.000134274% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085275581576 (7.56234e-05% change) large trace change predicted (0.000238926%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079110485394 (0.000239042% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579077118821251 (7.72239e-05% change) large trace change predicted (0.000245839%) linmin: converged after 4 iterations. iteration 182: trace = 2.579070776674144 (0.000245908% change) linmin: converged after 4 iterations. iteration 183: trace = 2.579062519937734 (0.000320144% change) linmin: converged after 4 iterations. iteration 184: trace = 2.579059772313992 (0.000106536% change) large trace change predicted (0.000240066%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053579658166 (0.000240113% change) linmin: converged after 4 iterations. iteration 186: trace = 2.579045264581167 (0.000322409% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042485940616 (0.000107739% change) large trace change predicted (0.000296458%) linmin: converged after 3 iterations. iteration 188: trace = 2.579034843461428 (0.000296331% change) linmin: converged after 4 iterations. iteration 189: trace = 2.579032597962294 (8.70675e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028655164773 (0.000152879% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022910879041 (0.000222731% change) linmin: converged after 7 iterations. iteration 192: trace = 2.579021622787959 (4.99449e-05% change) large trace change predicted (0.000203214%) linmin: converged after 3 iterations. iteration 193: trace = 2.579016385227683 (0.000203083% change) linmin: converged after 7 iterations. iteration 194: trace = 2.579010649159224 (0.000222413% change) linmin: converged after 4 iterations. iteration 195: trace = 2.579009216830626 (5.55379e-05% change) large trace change predicted (0.000151487%) linmin: converged after 5 iterations. iteration 196: trace = 2.579005312263789 (0.000151398% change) linmin: converged after 6 iterations. iteration 197: trace = 2.579001471136257 (0.000148938% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000202095394 (4.92067e-05% change) large trace change predicted (0.000142495%) linmin: converged after 4 iterations. iteration 199: trace = 2.578996529822402 (0.000142391% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578995187350642 (5.2054e-05% change) large trace change predicted (0.000131731%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991792415594 (0.000131638% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988993888872 (0.000108512% change) linmin: converged after 5 iterations. iteration 203: trace = 2.578987762684613 (4.77398e-05% change) large trace change predicted (0.000135855%) linmin: converged after 3 iterations. iteration 204: trace = 2.578984260530736 (0.000135796% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578980856605261 (0.000131987% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978830383538 (7.85668e-05% change) large trace change predicted (0.000160162%) linmin: converged after 3 iterations. iteration 207: trace = 2.578974698738432 (0.000160205% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578973015751278 (6.5258e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970593185892 (9.39353e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578968714970213 (7.28281e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.578967709801617 (3.89756e-05% change) large trace change predicted (8.45731e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.578965528390797 (8.45847e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964563648843 (3.74081e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.578962691495152 (7.25933e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960582717608 (8.17685e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.578959861533169 (2.79642e-05% change) large trace change predicted (6.89091e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.578958084037421 (6.8923e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.578955797477816 (8.86622e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.57895504299751 (2.92553e-05% change) large trace change predicted (7.33764e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.578953149960638 (7.34033e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952452927342 (2.70278e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.578951239347376 (4.70571e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949560038214 (6.5116e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948829317527 (2.8334e-05% change) large trace change predicted (6.89296e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.57894705091941 (6.89583e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944887353176 (8.38934e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.578944180787921 (2.73975e-05% change) large trace change predicted (0.000106351%) linmin: converged after 5 iterations. iteration 228: trace = 2.578941437166416 (0.000106386% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578939973196951 (5.67663e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938658299422 (5.0986e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936212270739 (9.48464e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935104609958 (4.29503e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.57893355483672 (6.00936e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932051113395 (5.8308e-05% change) linmin: converged after 4 iterations. iteration 235: trace = 2.578931430256686 (2.40742e-05% change) large trace change predicted (6.3687e-05%) linmin: converged after 4 iterations. iteration 236: trace = 2.578929787965555 (6.36811e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927732842243 (7.9689e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.578927370696145 (1.40425e-05% change) large trace change predicted (7.88144e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925339249452 (7.8771e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924460385541 (3.40787e-05% change) linmin: converged after 8 iterations. iteration 241: trace = 2.578923850546401 (2.3647e-05% change) large trace change predicted (4.97598e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.578922567884795 (4.97363e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922080751145 (1.8889e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.578921459580042 (2.40865e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.578920588759444 (3.37669e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.578920152669645 (1.69098e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.578919528317649 (2.42098e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.57891839601165 (4.39062e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578918027857583 (1.42755e-05% change) large trace change predicted (4.59907e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.578916842021182 (4.59819e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.578916059169786 (3.03558e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.578915623446967 (1.68956e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.578914755413444 (3.36589e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.578914220269266 (2.07508e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913286361983 (3.62132e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.578911970243699 (5.10338e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911690891971 (1.08322e-05% change) large trace change predicted (4.1962e-05%) linmin: converged after 19 iterations. iteration 258: trace = 2.57891060870616 (4.19629e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909258395869 (5.23597e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908933608401 (1.2594e-05% change) large trace change predicted (6.02701e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907379207026 (6.02736e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906522316381 (3.32269e-05% change) linmin: converged after 2 iterations. iteration 263: trace = 2.578905991059567 (2.06001e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.578905011242142 (3.79935e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.57890431127686 (2.7142e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.578903889516543 (1.63542e-05% change) large trace change predicted (4.42885e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.578902747575397 (4.42801e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902526433914 (8.57502e-06% change) large trace change predicted (3.14436e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.578901715648348 (3.14392e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900890314848 (3.20033e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.578900701551541 (7.31953e-06% change) large trace change predicted (2.65202e-05%) linmin: converged after 5 iterations. iteration 272: trace = 2.578900017648208 (2.65192e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899271387342 (2.89372e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899118432121 (5.93103e-06% change) large trace change predicted (2.54228e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898462777596 (2.54238e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898159127796 (1.17744e-05% change) linmin: converged after 5 iterations. iteration 277: trace = 2.578897869249839 (1.12404e-05% change) large trace change predicted (2.31179e-05%) linmin: converged after 7 iterations. iteration 278: trace = 2.578897273050618 (2.31184e-05% change) linmin: converged after 5 iterations. iteration 279: trace = 2.578896730929192 (2.10214e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896287665295 (1.71881e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.5788958899988 (1.542e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895754454166 (5.25592e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578895485195463 (1.04409e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.578895087730657 (1.54122e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578894975971315 (4.33361e-06% change) large trace change predicted (1.81265e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.578894508574154 (1.81239e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.57889410801878 (1.55321e-05% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578893999560019 (4.20563e-06% change) large trace change predicted (1.59254e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893588928751 (1.59228e-05% change) linmin: converged after 7 iterations. iteration 290: trace = 2.578893306795367 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 291: trace = 2.578893123980304 (7.0889e-06% change) large trace change predicted (1.69244e-05%) linmin: converged after 3 iterations. iteration 292: trace = 2.578892687544148 (1.69234e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892518215895 (6.56593e-06% change) linmin: converged after 3 iterations. iteration 294: trace = 2.578892241221396 (1.07408e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891835610835 (1.57281e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.578891612915137 (8.63533e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.57889126373564 (1.35399e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.578890876180742 (1.5028e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.578890683270827 (7.48034e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.578890325968974 (1.38549e-05% change) linmin: converged after 5 iterations. iteration 301: trace = 2.578890085566034 (9.32195e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889936017831 (5.79894e-06% change) large trace change predicted (1.31324e-05%) linmin: converged after 19 iterations. iteration 303: trace = 2.578889597397355 (1.31305e-05% change) linmin: converged after 2 iterations. iteration 304: trace = 2.5788895208872 (2.96679e-06% change) large trace change predicted (9.17308e-06%) linmin: converged after 4 iterations. iteration 305: trace = 2.578889284341206 (9.1724e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.578889040073928 (9.4718e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.578888806884359 (9.04225e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888736130238 (2.74359e-06% change) large trace change predicted (1.0083e-05%) linmin: converged after 4 iterations. iteration 309: trace = 2.578888476085962 (1.00836e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888389309429 (3.36488e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.578888222547906 (6.46641e-06% change) linmin: converged after 18 iterations. iteration 312: trace = 2.578888068859919 (5.95947e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578888019568005 (1.91136e-06% change) large trace change predicted (5.76668e-06%) linmin: converged after 4 iterations. iteration 314: trace = 2.578887870845399 (5.76693e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887718433325 (5.90999e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887677161438 (1.60038e-06% change) large trace change predicted (7.15223e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578887492693028 (7.15302e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887351236361 (5.48518e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.578887270444731 (3.13281e-06% change) large trace change predicted (1.02195e-05%) linmin: converged after 4 iterations. iteration 320: trace = 2.578887006872511 (1.02204e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886955611378 (1.98772e-06% change) large trace change predicted (7.85794e-06%) linmin: converged after 2 iterations. iteration 322: trace = 2.578886752955543 (7.85827e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.578886590840106 (6.28626e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.578886530251842 (2.3494e-06% change) large trace change predicted (5.63931e-06%) linmin: converged after 3 iterations. iteration 325: trace = 2.5788863848269 (5.63906e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886232586593 (5.90334e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.57888615054765 (3.18118e-06% change) large trace change predicted (7.48174e-06%) linmin: converged after 4 iterations. iteration 328: trace = 2.578885957625688 (7.48083e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885864164633 (3.62409e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885776693701 (3.39181e-06% change) large trace change predicted (7.33093e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.578885587670807 (7.32963e-06% change) linmin: converged after 27 iterations. iteration 332: trace = 2.578885538373884 (1.91156e-06% change) large trace change predicted (5.04363e-06%) linmin: converged after 3 iterations. iteration 333: trace = 2.578885408321698 (5.04296e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.578885265495369 (5.5383e-06% change) linmin: converged after 16 iterations. iteration 335: trace = 2.578885235565986 (1.16056e-06% change) large trace change predicted (3.35533e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.578885149043622 (3.35503e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885066707878 (3.19269e-06% change) linmin: converged after 8 iterations. iteration 338: trace = 2.578885041183195 (9.89757e-07% change) large trace change predicted (3.32552e-06%) linmin: converged after 3 iterations. iteration 339: trace = 2.578884955426909 (3.32532e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.578884848723537 (4.13758e-06% change) linmin: converged after 14 iterations. iteration 341: trace = 2.578884818458568 (1.17357e-06% change) large trace change predicted (4.0853e-06%) linmin: converged after 7 iterations. iteration 342: trace = 2.57888471310624 (4.08519e-06% change) linmin: converged after 18 iterations. iteration 343: trace = 2.578884642392182 (2.74204e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884602713305 (1.53861e-06% change) large trace change predicted (4.4568e-06%) linmin: converged after 5 iterations. iteration 345: trace = 2.57888448777896 (4.45675e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.578884431780175 (2.17143e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.578884386051757 (1.77319e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.57888431058125 (2.92648e-06% change) linmin: converged after 24 iterations. iteration 349: trace = 2.578884267815745 (1.65829e-06% change) resetting CG direction... linmin: converged after 9 iterations. iteration 350: trace = 2.57888422833012 (1.53111e-06% change) linmin: converged after 6 iterations. iteration 351: trace = 2.578884167212491 (2.36993e-06% change) linmin: converged after 3 iterations. iteration 352: trace = 2.578884135134724 (1.24386e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.578884090075526 (1.74724e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578884011742868 (3.03746e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.578883994515857 (6.68003e-07% change) large trace change predicted (2.17546e-06%) linmin: converged after 5 iterations. iteration 356: trace = 2.578883938409311 (2.17561e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.578883881997645 (2.18744e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.578883862483115 (7.56704e-07% change) large trace change predicted (2.56736e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.578883796268618 (2.56756e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.578883777226458 (7.38388e-07% change) linmin: converged after 2 iterations. iteration 361: trace = 2.578883743261209 (1.31705e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.578883702488097 (1.58104e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.57888368633559 (6.26337e-07% change) large trace change predicted (1.65619e-06%) linmin: converged after 2 iterations. iteration 364: trace = 2.578883643621738 (1.65629e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.578883577061982 (2.58095e-06% change) linmin: converged after 8 iterations. iteration 366: trace = 2.578883554707284 (8.66836e-07% change) large trace change predicted (2.20978e-06%) linmin: converged after 2 iterations. iteration 367: trace = 2.57888349771743 (2.20987e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.578883427926582 (2.70624e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.578883406635272 (8.25602e-07% change) large trace change predicted (1.99771e-06%) linmin: converged after 2 iterations. iteration 370: trace = 2.578883355116631 (1.99771e-06% change) linmin: converged after 6 iterations. iteration 371: trace = 2.578883286972285 (2.6424e-06% change) linmin: converged after 16 iterations. iteration 372: trace = 2.578883267400527 (7.58924e-07% change) large trace change predicted (2.58803e-06%) linmin: converged after 2 iterations. iteration 373: trace = 2.57888320065819 (2.58803e-06% change) linmin: converged after 10 iterations. iteration 374: trace = 2.578883160950679 (1.53972e-06% change) linmin: converged after 13 iterations. iteration 375: trace = 2.578883142543416 (7.13769e-07% change) large trace change predicted (2.24375e-06%) linmin: converged after 3 iterations. iteration 376: trace = 2.57888308468267 (2.24364e-06% change) linmin: converged after 10 iterations. iteration 377: trace = 2.578883025109856 (2.31002e-06% change) linmin: converged after 12 iterations. iteration 378: trace = 2.578883013424509 (4.53117e-07% change) large trace change predicted (2.17064e-06%) linmin: converged after 4 iterations. iteration 379: trace = 2.578882957449465 (2.17052e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.578882925837505 (1.2258e-06% change) linmin: converged after 9 iterations. iteration 381: trace = 2.578882910105894 (6.10016e-07% change) large trace change predicted (1.62587e-06%) linmin: converged after 22 iterations. iteration 382: trace = 2.57888286817952 (1.62576e-06% change) linmin: converged after 18 iterations. iteration 383: trace = 2.578882858838719 (3.62203e-07% change) large trace change predicted (1.10116e-06%) linmin: converged after 14 iterations. iteration 384: trace = 2.578882830442491 (1.10111e-06% change) linmin: converged after 35 iterations. iteration 385: trace = 2.578882802410506 (1.08698e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.578882784966687 (6.7641e-07% change) linmin: converged after 5 iterations. iteration 387: trace = 2.578882767429097 (6.80046e-07% change) linmin: converged after 14 iterations. iteration 388: trace = 2.578882733287546 (1.32389e-06% change) linmin: converged after 4 iterations. iteration 389: trace = 2.57888272132615 (4.63821e-07% change) large trace change predicted (1.42871e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882684481917 (1.42869e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.578882658808092 (9.95541e-07% change) linmin: converged after 3 iterations. iteration 392: trace = 2.578882642954935 (6.1473e-07% change) linmin: converged after 3 iterations. iteration 393: trace = 2.578882616553765 (1.02374e-06% change) linmin: converged after 8 iterations. iteration 394: trace = 2.578882587926257 (1.11007e-06% change) linmin: converged after 5 iterations. iteration 395: trace = 2.578882573063998 (5.76306e-07% change) large trace change predicted (1.47032e-06%) linmin: converged after 2 iterations. iteration 396: trace = 2.578882535145632 (1.47034e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.578882526245823 (3.45103e-07% change) large trace change predicted (1.08143e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.57888249835706 (1.08143e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882465578491 (1.27104e-06% change) linmin: converged after 19 iterations. iteration 400: trace = 2.578882448731245 (6.53277e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.578882415744254 (1.27912e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.578882383822383 (1.23782e-06% change) linmin: converged after 13 iterations. iteration 403: trace = 2.57888237186781 (4.63556e-07% change) large trace change predicted (1.08975e-06%) linmin: converged after 11 iterations. iteration 404: trace = 2.578882343763326 (1.08979e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.578882322723003 (8.1587e-07% change) linmin: converged after 22 iterations. iteration 406: trace = 2.578882314178037 (3.31344e-07% change) large trace change predicted (9.95795e-07%) linmin: converged after 8 iterations. iteration 407: trace = 2.578882288497162 (9.95814e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.578882274931218 (5.2604e-07% change) linmin: converged after 7 iterations. iteration 409: trace = 2.578882262988782 (4.63086e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882241085648 (8.49327e-07% change) linmin: converged after 5 iterations. iteration 411: trace = 2.578882235455017 (2.18336e-07% change) large trace change predicted (7.39992e-07%) linmin: converged after 3 iterations. iteration 412: trace = 2.578882216371586 (7.39988e-07% change) linmin: converged after 3 iterations. iteration 413: trace = 2.578882192306764 (9.33149e-07% change) linmin: converged after 5 iterations. iteration 414: trace = 2.578882185166103 (2.7689e-07% change) large trace change predicted (6.0813e-07%) linmin: converged after 20 iterations. iteration 415: trace = 2.578882169483405 (6.0812e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882156093668 (5.19207e-07% change) linmin: converged after 4 iterations. iteration 417: trace = 2.578882148049813 (3.11912e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.578882138332705 (3.76795e-07% change) large trace change predicted (4.10231e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.57888203255024 (4.10187e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 420: trace = 2.578882001414857 (1.20732e-06% change) linmin: converged after 3 iterations. iteration 421: trace = 2.57888198168971 (7.64872e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.578881974277851 (2.87406e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.578881962864237 (4.4258e-07% change) linmin: converged after 3 iterations. iteration 424: trace = 2.578881955412863 (2.88938e-07% change) linmin: converged after 11 iterations. iteration 425: trace = 2.578881952599149 (1.09106e-07% change) large trace change predicted (4.08628e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578881942061155 (4.08626e-07% change) linmin: converged after 7 iterations. iteration 427: trace = 2.578881935946643 (2.37099e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.578881933220652 (1.05704e-07% change) large trace change predicted (2.853e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.578881925863133 (2.85299e-07% change) linmin: converged after 5 iterations. iteration 430: trace = 2.578881918861035 (2.71517e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.578881915686762 (1.23087e-07% change) large trace change predicted (4.42272e-07%) linmin: converged after 4 iterations. iteration 432: trace = 2.578881904281187 (4.42268e-07% change) linmin: converged after 11 iterations. iteration 433: trace = 2.57888189922615 (1.96017e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.578881893089352 (2.37963e-07% change) linmin: converged after 5 iterations. iteration 435: trace = 2.578881886221618 (2.66307e-07% change) linmin: converged after 6 iterations. iteration 436: trace = 2.578881882795108 (1.32868e-07% change) large trace change predicted (2.82053e-07%) linmin: converged after 12 iterations. iteration 437: trace = 2.578881875521383 (2.8205e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.578881866718654 (3.41339e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881863079233 (1.41124e-07% change) large trace change predicted (3.17561e-07%) linmin: converged after 3 iterations. iteration 440: trace = 2.578881854889808 (3.17557e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.578881849411369 (2.12435e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881843615585 (2.2474e-07% change) linmin: converged after 8 iterations. iteration 443: trace = 2.578881834950654 (3.35996e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881830311306 (1.79898e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.578881828375051 (7.50812e-08% change) large trace change predicted (1.93627e-07%) linmin: converged after 3 iterations. iteration 446: trace = 2.578881823381663 (1.93626e-07% change) linmin: converged after 7 iterations. iteration 447: trace = 2.578881818911962 (1.73319e-07% change) linmin: converged after 16 iterations. iteration 448: trace = 2.578881816939237 (7.64954e-08% change) large trace change predicted (1.68541e-07%) linmin: converged after 2 iterations. iteration 449: trace = 2.578881812592749 (1.68542e-07% change) linmin: converged after 13 iterations. iteration 450: trace = 2.57888180998494 (1.01122e-07% change) linmin: converged after 2 iterations. iteration 451: trace = 2.578881806387408 (1.395e-07% change) linmin: converged after 2 iterations. iteration 452: trace = 2.578881801702745 (1.81655e-07% change) linmin: converged after 4 iterations. iteration 453: trace = 2.578881800532051 (4.53954e-08% change) large trace change predicted (1.45438e-07%) linmin: converged after 7 iterations. iteration 454: trace = 2.578881796781342 (1.45439e-07% change) linmin: converged after 2 iterations. iteration 455: trace = 2.57888179405486 (1.05723e-07% change) linmin: converged after 18 iterations. iteration 456: trace = 2.578881790709824 (1.29709e-07% change) linmin: converged after 6 iterations. iteration 457: trace = 2.578881786616718 (1.58716e-07% change) linmin: converged after 25 iterations. iteration 458: trace = 2.578881784182502 (9.43903e-08% change) linmin: converged after 13 iterations. iteration 459: trace = 2.578881782697347 (5.75891e-08% change) large trace change predicted (1.85288e-07%) linmin: converged after 20 iterations. iteration 460: trace = 2.578881777918918 (1.85291e-07% change) linmin: converged after 2 iterations. iteration 461: trace = 2.578881776055878 (7.22422e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881772340515 (1.44069e-07% change) linmin: converged after 10 iterations. iteration 463: trace = 2.578881768909506 (1.33042e-07% change) linmin: converged after 3 iterations. iteration 464: trace = 2.578881766121611 (1.08105e-07% change) linmin: converged after 17 iterations. iteration 465: trace = 2.578881764451818 (6.47487e-08% change) large trace change predicted (1.6705e-07%) linmin: converged after 4 iterations. iteration 466: trace = 2.578881760143803 (1.6705e-07% change) linmin: converged after 7 iterations. iteration 467: trace = 2.578881759396851 (2.89642e-08% change) large trace change predicted (1.39554e-07%) linmin: converged after 7 iterations. iteration 468: trace = 2.57888175579796 (1.39552e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.578881753502724 (8.90012e-08% change) linmin: converged after 6 iterations. iteration 470: trace = 2.578881751530404 (7.64797e-08% change) large trace change predicted (1.64211e-07%) linmin: converged after 12 iterations. iteration 471: trace = 2.578881747295646 (1.64209e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.578881744437918 (1.10813e-07% change) linmin: converged after 14 iterations. iteration 473: trace = 2.578881743681069 (2.93479e-08% change) large trace change predicted (9.12322e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.578881741328326 (9.12311e-08% change) linmin: converged after 7 iterations. iteration 475: trace = 2.578881738765879 (9.93627e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881737927481 (3.25101e-08% change) large trace change predicted (1.02946e-07%) linmin: converged after 4 iterations. iteration 477: trace = 2.578881735272673 (1.02944e-07% change) linmin: converged after 7 iterations. iteration 478: trace = 2.578881733494461 (6.89528e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.578881732930764 (2.18582e-08% change) large trace change predicted (8.73871e-08%) linmin: converged after 7 iterations. iteration 480: trace = 2.578881730677189 (8.73858e-08% change) linmin: converged after 10 iterations. iteration 481: trace = 2.578881729820675 (3.32126e-08% change) linmin: converged after 9 iterations. iteration 482: trace = 2.578881728681377 (4.4178e-08% change) large trace change predicted (9.04282e-08%) linmin: converged after 3 iterations. iteration 483: trace = 2.578881726349349 (9.04279e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.578881725726397 (2.41559e-08% change) large trace change predicted (7.02151e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.578881723915634 (7.02151e-08% change) linmin: converged after 4 iterations. iteration 486: trace = 2.578881722615295 (5.04226e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.578881722206721 (1.58431e-08% change) large trace change predicted (3.6933e-08%) linmin: converged after 2 iterations. iteration 488: trace = 2.57888172125426 (3.69331e-08% change) linmin: converged after 13 iterations. iteration 489: trace = 2.578881719585277 (6.47173e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.57888171888873 (2.70097e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.578881718084623 (3.11805e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881717604491 (1.86178e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881717004805 (2.32537e-08% change) linmin: converged after 3 iterations. iteration 494: trace = 2.578881715921646 (4.20011e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.57888171558842 (1.29214e-08% change) large trace change predicted (5.08189e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.578881714277853 (5.08192e-08% change) linmin: converged after 23 iterations. iteration 497: trace = 2.578881713204562 (4.16185e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881712762302 (1.71493e-08% change) large trace change predicted (4.78776e-08%) linmin: converged after 8 iterations. iteration 499: trace = 2.578881711527581 (4.78782e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.578881710974068 (2.14633e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.578881710025923 (3.67657e-08% change) linmin: converged after 24 iterations. iteration 502: trace = 2.57888170888197 (4.43585e-08% change) linmin: converged after 3 iterations. iteration 503: trace = 2.578881708510016 (1.44231e-08% change) large trace change predicted (5.61478e-08%) linmin: converged after 13 iterations. iteration 504: trace = 2.578881707062016 (5.61483e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881706093314 (3.75629e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.578881705717529 (1.45717e-08% change) large trace change predicted (5.93041e-08%) linmin: converged after 7 iterations. iteration 507: trace = 2.578881704188132 (5.93047e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881702874284 (5.09464e-08% change) linmin: converged after 9 iterations. iteration 509: trace = 2.578881702043305 (3.22224e-08% change) linmin: converged after 33 iterations. iteration 510: trace = 2.578881700506313 (5.95992e-08% change) linmin: converged after 8 iterations. iteration 511: trace = 2.578881698856581 (6.39708e-08% change) linmin: converged after 25 iterations. iteration 512: trace = 2.578881698305443 (2.13712e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881697318028 (3.82885e-08% change) linmin: converged after 6 iterations. iteration 514: trace = 2.578881696453907 (3.35076e-08% change) linmin: converged after 24 iterations. iteration 515: trace = 2.578881696040486 (1.6031e-08% change) large trace change predicted (3.3052e-08%) linmin: converged after 19 iterations. iteration 516: trace = 2.578881695188117 (3.30519e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881694077508 (4.30655e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881693851104 (8.77916e-09% change) large trace change predicted (3.4599e-08%) linmin: converged after 5 iterations. iteration 519: trace = 2.578881692958843 (3.45988e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.578881691965827 (3.85057e-08% change) linmin: converged after 18 iterations. iteration 521: trace = 2.578881691714425 (9.74847e-09% change) large trace change predicted (2.56216e-08%) linmin: converged after 6 iterations. iteration 522: trace = 2.578881691053676 (2.56216e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.57888169029596 (2.93816e-08% change) linmin: converged after 3 iterations. iteration 524: trace = 2.578881690098096 (7.67245e-09% change) large trace change predicted (3.62996e-08%) linmin: converged after 4 iterations. iteration 525: trace = 2.578881689161979 (3.62994e-08% change) linmin: converged after 3 iterations. iteration 526: trace = 2.578881688581245 (2.25188e-08% change) linmin: converged after 30 iterations. iteration 527: trace = 2.578881688348686 (9.0178e-09% change) large trace change predicted (2.9535e-08%) linmin: converged after 3 iterations. iteration 528: trace = 2.578881687587014 (2.9535e-08% change) linmin: converged after 5 iterations. iteration 529: trace = 2.578881686716563 (3.37531e-08% change) linmin: converged after 2 iterations. iteration 530: trace = 2.578881686421467 (1.14428e-08% change) large trace change predicted (3.29164e-08%) linmin: converged after 2 iterations. iteration 531: trace = 2.578881685572594 (3.29163e-08% change) linmin: converged after 4 iterations. iteration 532: trace = 2.578881685309287 (1.02101e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881684861761 (1.73535e-08% change) linmin: converged after 4 iterations. iteration 534: trace = 2.578881683985564 (3.39758e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.578881683754606 (8.95576e-09% change) large trace change predicted (2.36327e-08%) linmin: converged after 4 iterations. iteration 536: trace = 2.57888168314514 (2.36329e-08% change) linmin: converged after 10 iterations. iteration 537: trace = 2.578881682571086 (2.22598e-08% change) linmin: converged after 13 iterations. iteration 538: trace = 2.578881682368509 (7.85523e-09% change) large trace change predicted (2.28578e-08%) linmin: converged after 27 iterations. iteration 539: trace = 2.578881681779028 (2.2858e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881680797204 (3.80717e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.578881680612665 (7.15578e-09% change) large trace change predicted (2.58063e-08%) linmin: converged after 4 iterations. iteration 542: trace = 2.578881679947155 (2.58062e-08% change) linmin: converged after 4 iterations. iteration 543: trace = 2.578881679399616 (2.12316e-08% change) linmin: converged after 16 iterations. iteration 544: trace = 2.578881679234923 (6.38621e-09% change) large trace change predicted (1.8202e-08%) linmin: converged after 4 iterations. iteration 545: trace = 2.578881678765514 (1.8202e-08% change) linmin: converged after 8 iterations. iteration 546: trace = 2.578881678225997 (2.09206e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881677957258 (1.04207e-08% change) linmin: converged after 3 iterations. iteration 548: trace = 2.578881677551496 (1.57341e-08% change) linmin: converged after 8 iterations. iteration 549: trace = 2.578881677156865 (1.53024e-08% change) linmin: converged after 9 iterations. iteration 550: trace = 2.578881677012285 (5.6063e-09% change) large trace change predicted (1.24192e-08%) linmin: converged after 25 iterations. iteration 551: trace = 2.578881676692006 (1.24193e-08% change) linmin: converged after 25 iterations. iteration 552: trace = 2.578881676201708 (1.9012e-08% change) linmin: converged after 5 iterations. iteration 553: trace = 2.578881676070328 (5.09447e-09% change) large trace change predicted (2.11621e-08%) linmin: converged after 7 iterations. iteration 554: trace = 2.578881675524583 (2.11621e-08% change) linmin: converged after 8 iterations. iteration 555: trace = 2.578881675290996 (9.05768e-09% change) linmin: converged after 22 iterations. iteration 556: trace = 2.578881675180982 (4.26597e-09% change) large trace change predicted (1.61602e-08%) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674764232 (1.61601e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674334009 (1.66825e-08% change) large trace change predicted (3.52697e-08%) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673424452 (3.52694e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.578881672880023 (2.1111e-08% change) linmin: converged after 5 iterations. iteration 561: trace = 2.578881672680256 (7.74626e-09% change) linmin: converged after 25 iterations. iteration 562: trace = 2.578881672362635 (1.23162e-08% change) linmin: converged after 19 iterations. iteration 563: trace = 2.578881672284253 (3.03939e-09% change) linmin: converged after 2 iterations. iteration 564: trace = 2.578881672129735 (5.99167e-09% change) linmin: converged after 17 iterations. iteration 565: trace = 2.578881671925359 (7.92497e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.57888167184932 (2.94855e-09% change) large trace change predicted (8.93328e-09%) linmin: converged after 24 iterations. iteration 567: trace = 2.578881671618939 (8.93335e-09% change) linmin: converged after 22 iterations. iteration 568: trace = 2.578881671439694 (6.9505e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881671390202 (1.91914e-09% change) large trace change predicted (8.98693e-09%) linmin: converged after 5 iterations. iteration 570: trace = 2.578881671158436 (8.98706e-09% change) linmin: converged after 16 iterations. iteration 571: trace = 2.578881671023423 (5.23534e-09% change) linmin: converged after 23 iterations. iteration 572: trace = 2.578881670886128 (5.3238e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.57888167061433 (1.05394e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.57888167047332 (5.4679e-09% change) linmin: converged after 2 iterations. iteration 575: trace = 2.578881670382614 (3.51723e-09% change) large trace change predicted (9.72658e-09%) linmin: converged after 4 iterations. iteration 576: trace = 2.578881670131778 (9.72653e-09% change) linmin: converged after 2 iterations. iteration 577: trace = 2.57888167005623 (2.92949e-09% change) large trace change predicted (8.33047e-09%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881669841399 (8.3304e-09% change) linmin: converged after 16 iterations. iteration 579: trace = 2.578881669671451 (6.58999e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881669616973 (2.11247e-09% change) large trace change predicted (7.63815e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.578881669419995 (7.63812e-09% change) linmin: converged after 3 iterations. iteration 582: trace = 2.578881669253416 (6.45934e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669214003 (1.52829e-09% change) large trace change predicted (3.75678e-09%) linmin: converged after 19 iterations. iteration 584: trace = 2.578881669117119 (3.75683e-09% change) linmin: converged after 21 iterations. iteration 585: trace = 2.578881668988493 (4.98767e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.578881668925138 (2.45667e-09% change) linmin: converged after 13 iterations. iteration 587: trace = 2.578881668828271 (3.75618e-09% change) linmin: converged after 17 iterations. iteration 588: trace = 2.578881668704732 (4.79039e-09% change) linmin: converged after 14 iterations. iteration 589: trace = 2.578881668664982 (1.54138e-09% change) large trace change predicted (5.54873e-09%) linmin: converged after 5 iterations. iteration 590: trace = 2.578881668521888 (5.54868e-09% change) linmin: converged after 15 iterations. iteration 591: trace = 2.578881668383914 (5.35017e-09% change) linmin: converged after 7 iterations. iteration 592: trace = 2.578881668294432 (3.46977e-09% change) linmin: converged after 19 iterations. iteration 593: trace = 2.578881668237628 (2.20267e-09% change) large trace change predicted (5.03978e-09%) linmin: converged after 6 iterations. iteration 594: trace = 2.578881668107656 (5.03986e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.578881668073455 (1.32618e-09% change) large trace change predicted (3.65727e-09%) linmin: converged after 6 iterations. iteration 596: trace = 2.578881667979138 (3.6573e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881667875772 (4.00818e-09% change) linmin: converged after 18 iterations. iteration 598: trace = 2.578881667853007 (8.82743e-10% change) large trace change predicted (4.69625e-09%) linmin: converged after 4 iterations. iteration 599: trace = 2.578881667731894 (4.69632e-09% change) linmin: converged after 12 iterations. iteration 600: trace = 2.578881667641204 (3.51666e-09% change) linmin: converged after 4 iterations. iteration 601: trace = 2.578881667613043 (1.09197e-09% change) large trace change predicted (2.753e-09%) linmin: converged after 4 iterations. iteration 602: trace = 2.578881667542047 (2.75296e-09% change) linmin: converged after 12 iterations. iteration 603: trace = 2.578881667459425 (3.20381e-09% change) linmin: converged after 14 iterations. iteration 604: trace = 2.578881667444047 (5.96319e-10% change) large trace change predicted (3.19409e-09%) linmin: converged after 17 iterations. iteration 605: trace = 2.578881667361677 (3.19401e-09% change) linmin: converged after 17 iterations. iteration 606: trace = 2.578881667305295 (2.18628e-09% change) linmin: converged after 15 iterations. iteration 607: trace = 2.578881667282311 (8.91267e-10% change) large trace change predicted (2.90575e-09%) linmin: converged after 4 iterations. iteration 608: trace = 2.578881667207375 (2.90576e-09% change) linmin: converged after 3 iterations. iteration 609: trace = 2.578881667147459 (2.32332e-09% change) linmin: converged after 9 iterations. iteration 610: trace = 2.578881667088488 (2.28669e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.578881666998828 (3.47671e-09% change) linmin: converged after 5 iterations. iteration 612: trace = 2.578881666926084 (2.82076e-09% change) linmin: converged after 6 iterations. iteration 613: trace = 2.57888166690396 (8.5786e-10% change) large trace change predicted (2.43285e-09%) linmin: converged after 2 iterations. iteration 614: trace = 2.57888166684122 (2.43287e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.57888166677574 (2.53905e-09% change) linmin: converged after 4 iterations. iteration 616: trace = 2.578881666757212 (7.18462e-10% change) large trace change predicted (2.50814e-09%) linmin: converged after 10 iterations. iteration 617: trace = 2.57888166669253 (2.50813e-09% change) linmin: converged after 6 iterations. iteration 618: trace = 2.578881666651681 (1.584e-09% change) linmin: converged after 15 iterations. iteration 619: trace = 2.578881666633528 (7.03911e-10% change) large trace change predicted (1.83281e-09%) linmin: converged after 18 iterations. iteration 620: trace = 2.578881666586263 (1.83275e-09% change) linmin: converged after 3 iterations. iteration 621: trace = 2.57888166653182 (2.11111e-09% change) linmin: converged after 12 iterations. iteration 622: trace = 2.578881666519719 (4.69251e-10% change) large trace change predicted (1.63917e-09%) linmin: converged after 13 iterations. iteration 623: trace = 2.57888166647745 (1.63906e-09% change) linmin: converged after 18 iterations. iteration 624: trace = 2.578881666465879 (4.48673e-10% change) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666443046 (8.85395e-10% change) linmin: converged after 15 iterations. iteration 626: trace = 2.578881666412798 (1.17289e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666407355 (2.11086e-10% change) large trace change predicted (7.81056e-10%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666387216 (7.8092e-10% change) linmin: converged after 5 iterations. iteration 629: trace = 2.578881666359142 (1.08859e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.578881666343821 (5.94098e-10% change) linmin: converged after 10 iterations. iteration 631: trace = 2.57888166633352 (3.9944e-10% change) linmin: converged after 14 iterations. iteration 632: trace = 2.578881666315105 (7.14071e-10% change) linmin: converged after 15 iterations. iteration 633: trace = 2.578881666302706 (4.80789e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666287663 (5.83318e-10% change) linmin: converged after 7 iterations. iteration 635: trace = 2.578881666262296 (9.83636e-10% change) linmin: converged after 9 iterations. iteration 636: trace = 2.578881666237984 (9.42738e-10% change) linmin: converged after 6 iterations. iteration 637: trace = 2.578881666228343 (3.73851e-10% change) large trace change predicted (1.48265e-09%) linmin: converged after 11 iterations. iteration 638: trace = 2.578881666190106 (1.48268e-09% change) linmin: converged after 7 iterations. iteration 639: trace = 2.578881666181165 (3.46695e-10% change) large trace change predicted (1.36478e-09%) linmin: converged after 5 iterations. iteration 640: trace = 2.578881666145971 (1.3647e-09% change) linmin: converged after 3 iterations. iteration 641: trace = 2.578881666122883 (8.95279e-10% change) linmin: converged after 15 iterations. iteration 642: trace = 2.578881666109266 (5.28024e-10% change) large trace change predicted (1.20858e-09%) linmin: converged after 4 iterations. iteration 643: trace = 2.578881666078096 (1.20865e-09% change) linmin: converged after 16 iterations. iteration 644: trace = 2.578881666054388 (9.19319e-10% change) linmin: converged after 10 iterations. iteration 645: trace = 2.578881666031477 (8.88409e-10% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881665998045 (1.29639e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665981172 (6.54282e-10% change) linmin: converged after 9 iterations. iteration 648: trace = 2.578881665954198 (1.04592e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881665913589 (1.57469e-09% change) linmin: converged after 7 iterations. iteration 650: trace = 2.578881665902702 (4.22154e-10% change) large trace change predicted (1.1464e-09%) linmin: converged after 6 iterations. iteration 651: trace = 2.578881665873137 (1.14642e-09% change) linmin: converged after 18 iterations. iteration 652: trace = 2.578881665839885 (1.28942e-09% change) linmin: converged after 15 iterations. iteration 653: trace = 2.578881665830862 (3.49881e-10% change) linmin: converged after 2 iterations. iteration 654: trace = 2.578881665817207 (5.29487e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665794501 (8.8047e-10% change) linmin: converged after 4 iterations. iteration 656: trace = 2.578881665787002 (2.90781e-10% change) large trace change predicted (7.61912e-10%) linmin: converged after 9 iterations. iteration 657: trace = 2.578881665767358 (7.61737e-10% change) linmin: converged after 3 iterations. iteration 658: trace = 2.578881665742176 (9.76438e-10% change) linmin: converged after 7 iterations. iteration 659: trace = 2.578881665722106 (7.78251e-10% change) linmin: converged after 10 iterations. iteration 660: trace = 2.578881665715547 (2.54343e-10% change) large trace change predicted (1.06009e-09%) linmin: converged after 10 iterations. iteration 661: trace = 2.57888166568821 (1.06003e-09% change) linmin: converged after 15 iterations. iteration 662: trace = 2.578881665671198 (6.59672e-10% change) linmin: converged after 5 iterations. iteration 663: trace = 2.578881665661258 (3.8544e-10% change) linmin: converged after 5 iterations. iteration 664: trace = 2.578881665642224 (7.38076e-10% change) linmin: converged after 6 iterations. iteration 665: trace = 2.578881665620788 (8.3122e-10% change) linmin: converged after 8 iterations. iteration 666: trace = 2.578881665613722 (2.73991e-10% change) large trace change predicted (8.01187e-10%) linmin: converged after 12 iterations. iteration 667: trace = 2.578881665593063 (8.01085e-10% change) linmin: converged after 9 iterations. iteration 668: trace = 2.578881665570797 (8.63388e-10% change) linmin: converged after 6 iterations. iteration 669: trace = 2.578881665562785 (3.1067e-10% change) large trace change predicted (6.48335e-10%) linmin: converged after 14 iterations. iteration 670: trace = 2.578881665546068 (6.48238e-10% change) linmin: converged after 2 iterations. iteration 671: trace = 2.578881665528613 (6.76841e-10% change) linmin: converged after 5 iterations. iteration 672: trace = 2.578881665523364 (2.03543e-10% change) large trace change predicted (5.97932e-10%) linmin: converged after 5 iterations. iteration 673: trace = 2.578881665507944 (5.97921e-10% change) linmin: converged after 9 iterations. iteration 674: trace = 2.578881665493631 (5.55025e-10% change) linmin: converged after 6 iterations. iteration 675: trace = 2.57888166548984 (1.47009e-10% change) large trace change predicted (3.77037e-10%) linmin: converged after 6 iterations. iteration 676: trace = 2.578881665480119 (3.76916e-10% change) linmin: converged after 5 iterations. iteration 677: trace = 2.578881665464972 (5.87365e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665461953 (1.1708e-10% change) large trace change predicted (6.74851e-10%) linmin: converged after 4 iterations. iteration 679: trace = 2.578881665444547 (6.74912e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665429346 (5.89466e-10% change) linmin: converged after 7 iterations. iteration 681: trace = 2.578881665423999 (2.07349e-10% change) large trace change predicted (5.60156e-10%) linmin: converged after 5 iterations. iteration 682: trace = 2.578881665409554 (5.60122e-10% change) linmin: converged after 3 iterations. iteration 683: trace = 2.578881665396096 (5.21824e-10% change) linmin: converged after 3 iterations. iteration 684: trace = 2.57888166539108 (1.94502e-10% change) large trace change predicted (6.56312e-10%) linmin: converged after 16 iterations. iteration 685: trace = 2.578881665374154 (6.56332e-10% change) linmin: converged after 7 iterations. iteration 686: trace = 2.578881665363821 (4.00697e-10% change) linmin: converged after 9 iterations. iteration 687: trace = 2.578881665358802 (1.94606e-10% change) large trace change predicted (4.55198e-10%) linmin: converged after 10 iterations. iteration 688: trace = 2.578881665347064 (4.55182e-10% change) linmin: converged after 4 iterations. iteration 689: trace = 2.578881665336897 (3.94223e-10% change) linmin: converged after 16 iterations. iteration 690: trace = 2.578881665333923 (1.15324e-10% change) large trace change predicted (3.39979e-10%) linmin: converged after 4 iterations. iteration 691: trace = 2.578881665325157 (3.3991e-10% change) linmin: converged after 4 iterations. iteration 692: trace = 2.578881665316311 (3.43027e-10% change) linmin: converged after 6 iterations. iteration 693: trace = 2.578881665313618 (1.04406e-10% change) large trace change predicted (2.96526e-10%) linmin: converged after 7 iterations. iteration 694: trace = 2.57888166530597 (2.96567e-10% change) linmin: converged after 6 iterations. iteration 695: trace = 2.578881665298785 (2.78606e-10% change) linmin: converged after 7 iterations. iteration 696: trace = 2.578881665297254 (5.93926e-11% change) Finished solving for bands 1 to 10 after 696 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: 5.263214588165283 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311410172535 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853103981993 (0.601528% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444441749315 (0.566464% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059546823127 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 7 iterations. iteration 5: trace = 2.697340830608071 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429760772978 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690564093613 (0.176043% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920542952841 (0.177502% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317568732568 (0.0597207% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110892691566 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993858887157 (0.0416873% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047331401911 (0.0726853% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749424417922 (0.0484945% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253258988021 (0.0185448% change) large trace change predicted (0.068996%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346651688732 (0.0668101% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597464826754 (0.0325118% change) large trace change predicted (0.0848744%) linmin: converged after 8 iterations. iteration 17: trace = 2.670556083231295 (0.0764111% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703646499506 (0.0319249% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900101656904 (0.0301032% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441533479629 (0.0171834% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894062344125 (0.0205186% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712188808791 (0.00681735% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380419114014 (0.0124373% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218855539889 (0.0060572% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847521292431 (0.0139231% change) linmin: converged after 3 iterations. iteration 26: trace = 2.6667143800038 (0.00499258% change) large trace change predicted (0.0115123%) linmin: converged after 4 iterations. iteration 27: trace = 2.66640781126585 (0.0114968% change) linmin: converged after 11 iterations. iteration 28: trace = 2.666220086697824 (0.0070406% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972895818446 (0.00927164% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665788972806222 (0.00689915% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603882228924 (0.00694342% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322188329073 (0.0105683% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175158192592 (0.00551656% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933715828463 (0.00905957% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826780090388 (0.00401278% change) large trace change predicted (0.00927276%) linmin: converged after 4 iterations. iteration 36: trace = 2.66457547825066 (0.00943077% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485881232104 (0.00336258% change) large trace change predicted (0.00824578%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263025652231 (0.00836427% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167506728726 (0.00358526% change) large trace change predicted (0.00963708%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907469075595 (0.00976104% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804843372543 (0.00385252% change) large trace change predicted (0.0104144%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525567935192 (0.0104846% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401433118001 (0.00466065% change) large trace change predicted (0.00944252%) linmin: converged after 4 iterations. iteration 44: trace = 2.663148934646257 (0.00948075% change) linmin: converged after 5 iterations. iteration 45: trace = 2.663044722878014 (0.00391318% change) large trace change predicted (0.00794065%) linmin: converged after 6 iterations. iteration 46: trace = 2.662833185848342 (0.00794374% change) linmin: converged after 7 iterations. iteration 47: trace = 2.662716651292053 (0.00437643% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492747508043 (0.0084092% change) linmin: converged after 4 iterations. iteration 49: trace = 2.662363037863714 (0.00487186% change) linmin: converged after 4 iterations. iteration 50: trace = 2.662194241317517 (0.0063403% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058110012701 (0.00511363% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879837579253 (0.00669701% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724274974738 (0.00584426% change) linmin: converged after 3 iterations. iteration 54: trace = 2.661571455766341 (0.00574153% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350484327378 (0.00830264% change) linmin: converged after 4 iterations. iteration 56: trace = 2.6611907399719 (0.00600256% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967561304287 (0.00838677% change) linmin: converged after 5 iterations. iteration 58: trace = 2.66084913615252 (0.00445055% change) large trace change predicted (0.00999701%) linmin: converged after 4 iterations. iteration 59: trace = 2.660585993234703 (0.00988992% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492776586203 (0.00350367% change) large trace change predicted (0.00837954%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271581660874 (0.0083144% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168609590275 (0.00387081% change) large trace change predicted (0.0102888%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896367675257 (0.0102345% change) linmin: converged after 3 iterations. iteration 64: trace = 2.659777297611458 (0.00447659% change) linmin: converged after 4 iterations. iteration 65: trace = 2.659570122497851 (0.00778949% change) linmin: converged after 4 iterations. iteration 66: trace = 2.659406458669784 (0.00615396% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264246045999 (0.00534768% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119260361261 (0.00545225% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023749085827 (0.0035919% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.65891569687871 (0.00406369% change) large trace change predicted (0.0163852%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478029559357 (0.0164617% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118864432807 (0.0135111% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882808808801 (0.00888095% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598191615639 (0.010709% change) linmin: converged after 3 iterations. iteration 75: trace = 2.65754141878134 (0.00213627% change) large trace change predicted (0.00463006%) linmin: converged after 3 iterations. iteration 76: trace = 2.6574181599615 (0.00463818% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346029134954 (0.00271436% change) linmin: converged after 4 iterations. iteration 78: trace = 2.657324623641427 (0.000805525% change) large trace change predicted (0.00211714%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268244732419 (0.00212166% change) linmin: converged after 4 iterations. iteration 80: trace = 2.657245571948162 (0.00085324% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219519060036 (0.000980452% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182540698972 (0.00139163% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167952997687 (0.000548993% change) large trace change predicted (0.00207297%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112818408914 (0.00207496% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657051996839505 (0.00228904% change) linmin: converged after 4 iterations. iteration 86: trace = 2.65701749848855 (0.00129838% change) large trace change predicted (0.00419276%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905828655492 (0.00420291% change) linmin: converged after 5 iterations. iteration 88: trace = 2.656840696939022 (0.00245144% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716135156853 (0.00468845% change) linmin: converged after 4 iterations. iteration 90: trace = 2.656564648783219 (0.00570218% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504293119446 (0.00227197% change) large trace change predicted (0.00808399%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289710721658 (0.00807795% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193398884594 (0.00362587% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063303563878 (0.00489793% change) linmin: converged after 4 iterations. iteration 95: trace = 2.65588978810328 (0.00653302% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839026062192 (0.00191132% change) large trace change predicted (0.00421328%) linmin: converged after 4 iterations. iteration 97: trace = 2.655727133042021 (0.00421318% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616063930675 (0.00418234% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571094945199 (0.00169337% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503705479084 (0.0025377% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488873170593 (0.000558551% change) large trace change predicted (0.00182285%) linmin: converged after 4 iterations. iteration 102: trace = 2.655440488909325 (0.00182206% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383123394544 (0.00216032% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357411136051 (0.000968312% change) large trace change predicted (0.00357609%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262405601 (0.00357795% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229505066107 (0.00123908% change) large trace change predicted (0.00270573%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157599236592 (0.00270812% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030881092197 (0.00477264% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980391165855 (0.00190169% change) large trace change predicted (0.00534938%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838247825655 (0.00535398% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712126604666 (0.00475073% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658435472756 (0.0020225% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566797648508 (0.00345202% change) linmin: converged after 5 iterations. iteration 114: trace = 2.654539465977521 (0.00102961% change) large trace change predicted (0.00383317%) linmin: converged after 3 iterations. iteration 115: trace = 2.654437740028257 (0.00383222% change) linmin: converged after 13 iterations. iteration 116: trace = 2.65436452799665 (0.00275814% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340158878017 (0.000918082% change) large trace change predicted (0.00275112%) linmin: converged after 4 iterations. iteration 118: trace = 2.654267180109325 (0.00274945% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255143822632 (0.00045347% change) large trace change predicted (0.00136357%) linmin: converged after 8 iterations. iteration 120: trace = 2.654218969640244 (0.00136288% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200850635746 (0.000682652% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193372526644 (0.000281747% change) large trace change predicted (0.000758505%) linmin: converged after 4 iterations. iteration 123: trace = 2.654173241575085 (0.000758461% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167273712889 (0.000224849% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157909158193 (0.000352825% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147418774747 (0.000395244% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143555327086 (0.000145563% change) large trace change predicted (0.000376651%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133558239182 (0.00037666% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120959872817 (0.000474671% change) linmin: converged after 21 iterations. iteration 130: trace = 2.654109179577582 (0.00044385% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085868645411 (0.0008783% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077836153245 (0.000302647% change) large trace change predicted (0.000990896%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051522513667 (0.000991447% change) linmin: converged after 3 iterations. iteration 134: trace = 2.654040114299677 (0.000429842% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033606051378 (0.000245221% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022205557455 (0.000429554% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018098603656 (0.000154745% change) large trace change predicted (0.000481156%) linmin: converged after 5 iterations. iteration 138: trace = 2.654005327795167 (0.000481189% change) linmin: converged after 3 iterations. iteration 139: trace = 2.653997021399157 (0.000312976% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995080608912 (7.31271e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.653992464817057 (9.85606e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.65399014967916 (8.72323e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988580944425 (5.91086e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.653985739809346 (0.000107052% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984641152611 (4.13965e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.653982736506997 (7.17655e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.653979596551558 (0.000118311% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979052575707 (2.04966e-05% change) large trace change predicted (9.46882e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976539466266 (9.46922e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975151881646 (5.22832e-05% change) linmin: converged after 5 iterations. iteration 151: trace = 2.653973691954598 (5.50091e-05% change) large trace change predicted (0.000111661%) linmin: converged after 3 iterations. iteration 152: trace = 2.653970728523313 (0.00011166% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968438090717 (8.63021e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966784561564 (6.2304e-05% change) large trace change predicted (0.000206075%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961315079321 (0.000206087% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959584120117 (6.52217e-05% change) large trace change predicted (0.000249312%) linmin: converged after 3 iterations. iteration 157: trace = 2.65395296754646 (0.00024931% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947560836003 (0.000203723% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944309648854 (0.000122504% change) large trace change predicted (0.000321213%) linmin: converged after 4 iterations. iteration 160: trace = 2.65393578269613 (0.000321294% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926965929053 (0.000332215% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925360915887 (6.04769e-05% change) large trace change predicted (0.000210665%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919769468554 (0.000210686% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917949358118 (6.8582e-05% change) linmin: converged after 8 iterations. iteration 165: trace = 2.653915873877871 (7.82044e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.653913454543818 (9.1161e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912730379727 (2.72867e-05% change) large trace change predicted (0.00010043%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910064827467 (0.000100439% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908234667604 (6.89609e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907652618004 (2.19318e-05% change) large trace change predicted (7.38625e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905692644661 (7.38524e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.653904098895143 (6.0053e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903597632391 (1.88878e-05% change) large trace change predicted (6.97881e-05%) linmin: converged after 5 iterations. iteration 174: trace = 2.653901745726903 (6.97805e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900307126863 (5.4207e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899658444773 (2.44426e-05% change) large trace change predicted (8.21584e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897478275626 (8.21497e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894782819264 (0.000101566% change) linmin: converged after 31 iterations. iteration 179: trace = 2.653893723787848 (3.99048e-05% change) large trace change predicted (0.000173279%) linmin: converged after 5 iterations. iteration 180: trace = 2.653889125017648 (0.000173284% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888300310475 (3.10754e-05% change) large trace change predicted (9.92876e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885665113354 (9.92958e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883597375262 (7.79136e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882449471755 (4.32537e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880512402468 (7.299e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029345772 (1.82019e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.653879271442776 (2.85583e-05% change) linmin: converged after 2 iterations. iteration 188: trace = 2.653878601734299 (2.52351e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.6538784001655 (7.59525e-06% change) large trace change predicted (1.88307e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877900427086 (1.88305e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877421558993 (1.80441e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.65387730987687 (4.20826e-06% change) large trace change predicted (1.21109e-05%) linmin: converged after 3 iterations. iteration 193: trace = 2.653876988472429 (1.21108e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876701439056 (1.08156e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.653876503410812 (7.46185e-06% change) large trace change predicted (1.82642e-05%) linmin: converged after 5 iterations. iteration 196: trace = 2.653876018717266 (1.82636e-05% change) linmin: converged after 11 iterations. iteration 197: trace = 2.653875743899023 (1.03554e-05% change) large trace change predicted (2.57543e-05%) linmin: converged after 4 iterations. iteration 198: trace = 2.653875060450527 (2.57528e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.653874147184598 (3.44126e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873614591419 (2.00685e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.6538729333311 (2.56704e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871895566034 (3.91038e-05% change) linmin: converged after 15 iterations. iteration 203: trace = 2.65387155607623 (1.27922e-05% change) large trace change predicted (3.29723e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870680971224 (3.29747e-05% change) linmin: converged after 21 iterations. iteration 205: trace = 2.653870122826004 (2.10314e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.653869969560776 (5.77516e-06% change) large trace change predicted (1.29054e-05%) linmin: converged after 3 iterations. iteration 207: trace = 2.653869627068521 (1.29054e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869358862778 (1.01062e-05% change) linmin: converged after 5 iterations. iteration 209: trace = 2.653869078066302 (1.05806e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868925079117 (5.76468e-06% change) linmin: converged after 10 iterations. iteration 211: trace = 2.65386885402022 (2.67756e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868738796709 (4.34172e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868657394825 (3.06729e-06% change) large trace change predicted (6.76972e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868477723293 (6.77017e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868237619988 (9.0473e-06% change) linmin: converged after 6 iterations. iteration 216: trace = 2.653868167286306 (2.65023e-06% change) large trace change predicted (1.06308e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.653867885147639 (1.06312e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.653867608071129 (1.04405e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.65386744165509 (6.2707e-06% change) large trace change predicted (1.45434e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867055690426 (1.45435e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866913835114 (5.34523e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.653866652758798 (9.83758e-06% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866355935795 (1.11845e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866272878552 (3.12967e-06% change) large trace change predicted (6.68331e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866095517378 (6.68312e-06% change) linmin: converged after 4 iterations. iteration 226: trace = 2.653865950140019 (5.47795e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.653865910912876 (1.47811e-06% change) large trace change predicted (5.24753e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.6538657716561 (5.24732e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865715078113 (2.13191e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.653865636506092 (2.96066e-06% change) linmin: converged after 28 iterations. iteration 231: trace = 2.653865564265992 (2.72207e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 2.653865464245028 (3.76888e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.653865437462328 (1.0092e-06% change) large trace change predicted (5.0147e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.653865304386845 (5.0144e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.65386519536098 (4.10819e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.653865111140421 (3.17351e-06% change) large trace change predicted (8.85399e-06%) linmin: converged after 5 iterations. iteration 237: trace = 2.653864876182085 (8.85344e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.653864810780303 (2.4644e-06% change) large trace change predicted (1.39121e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.65386444158312 (1.39117e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864092884526 (1.31393e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653863976297839 (4.39309e-06% change) linmin: converged after 2 iterations. iteration 242: trace = 2.653863767119183 (7.88204e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863499038534 (1.01015e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.65386341956879 (2.99449e-06% change) large trace change predicted (8.43221e-06%) linmin: converged after 2 iterations. iteration 245: trace = 2.653863195775577 (8.43273e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863002305884 (7.29012e-06% change) linmin: converged after 3 iterations. iteration 247: trace = 2.653862939461485 (2.36803e-06% change) linmin: converged after 7 iterations. iteration 248: trace = 2.653862838047807 (3.82136e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.653862750547567 (3.29709e-06% change) linmin: converged after 9 iterations. iteration 250: trace = 2.653862731551472 (7.1579e-07% change) large trace change predicted (2.498e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.653862665259322 (2.49795e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862631829987 (1.25965e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.653862598619071 (1.25142e-06% change) linmin: converged after 4 iterations. iteration 254: trace = 2.653862553637281 (1.69496e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862499020986 (2.05799e-06% change) linmin: converged after 2 iterations. iteration 256: trace = 2.653862476489225 (8.49018e-07% change) large trace change predicted (3.93247e-06%) linmin: converged after 5 iterations. iteration 257: trace = 2.653862372131893 (3.93228e-06% change) linmin: converged after 24 iterations. iteration 258: trace = 2.653862348759161 (8.80706e-07% change) large trace change predicted (4.30763e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.65386223444527 (4.30745e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.653862135935652 (3.71193e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.653862104064693 (1.20093e-06% change) large trace change predicted (3.53299e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.65386201030362 (3.533e-06% change) linmin: converged after 3 iterations. iteration 263: trace = 2.653861927898538 (3.1051e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.653861896369311 (1.18805e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861837885878 (2.20371e-06% change) linmin: converged after 2 iterations. iteration 266: trace = 2.653861792896794 (1.69523e-06% change) linmin: converged after 3 iterations. iteration 267: trace = 2.653861759420286 (1.26143e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861720311059 (1.47367e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.653861710725057 (3.6121e-07% change) large trace change predicted (9.52169e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.65386168545558 (9.52178e-07% change) linmin: converged after 5 iterations. iteration 271: trace = 2.653861666931449 (6.98007e-07% change) linmin: converged after 6 iterations. iteration 272: trace = 2.653861660748593 (2.32976e-07% change) linmin: converged after 4 iterations. iteration 273: trace = 2.653861650914114 (3.70572e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861639321258 (4.3683e-07% change) linmin: converged after 4 iterations. iteration 275: trace = 2.653861636727051 (9.77522e-08% change) large trace change predicted (5.0528e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623317571 (5.05282e-07% change) linmin: converged after 3 iterations. iteration 277: trace = 2.653861615551344 (2.92639e-07% change) linmin: converged after 3 iterations. iteration 278: trace = 2.653861610178305 (2.02461e-07% change) large trace change predicted (1.72368e-06%) linmin: converged after 5 iterations. iteration 279: trace = 2.653861564434906 (1.72365e-06% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.653861550375273 (5.2978e-07% change) linmin: converged after 18 iterations. iteration 281: trace = 2.653861533159478 (6.48707e-07% change) linmin: converged after 10 iterations. iteration 282: trace = 2.653861521115103 (4.53843e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 2.653861516953647 (1.56808e-07% change) large trace change predicted (3.19547e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.653861508473216 (3.19551e-07% change) linmin: converged after 4 iterations. iteration 285: trace = 2.653861501935062 (2.46364e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.65386149731999 (1.739e-07% change) large trace change predicted (3.9222e-07%) linmin: converged after 3 iterations. iteration 287: trace = 2.653861486911017 (3.9222e-07% change) linmin: converged after 12 iterations. iteration 288: trace = 2.653861481122196 (2.18128e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.653861475156671 (2.24787e-07% change) large trace change predicted (5.66199e-07%) linmin: converged after 3 iterations. iteration 290: trace = 2.653861460130549 (5.66198e-07% change) linmin: converged after 4 iterations. iteration 291: trace = 2.653861454278267 (2.20519e-07% change) large trace change predicted (6.21929e-07%) linmin: converged after 24 iterations. iteration 292: trace = 2.653861437772868 (6.21939e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861418071272 (7.42375e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.653861409006131 (3.41583e-07% change) large trace change predicted (9.24339e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384475761 (9.24327e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861360407902 (9.069e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 2.653861352155527 (3.10957e-07% change) large trace change predicted (1.24076e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.653861319227775 (1.24075e-06% change) linmin: converged after 13 iterations. iteration 299: trace = 2.65386130224904 (6.39775e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.653861282671801 (7.37689e-07% change) linmin: converged after 5 iterations. iteration 301: trace = 2.653861260636838 (8.30298e-07% change) linmin: converged after 11 iterations. iteration 302: trace = 2.653861251811262 (3.32556e-07% change) linmin: converged after 5 iterations. iteration 303: trace = 2.653861234499165 (6.52336e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.65386122012131 (5.41771e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.653861216396757 (1.40345e-07% change) large trace change predicted (3.07863e-07%) linmin: converged after 4 iterations. iteration 306: trace = 2.653861208226429 (3.07866e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861199165063 (3.41441e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.653861197442059 (6.49244e-08% change) large trace change predicted (3.45227e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188280197 (3.45228e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.653861179736291 (3.21942e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.653861173933652 (2.18649e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168434974 (2.07195e-07% change) large trace change predicted (4.92209e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.653861155372515 (4.92206e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150083162 (1.99308e-07% change) large trace change predicted (4.55581e-07%) linmin: converged after 8 iterations. iteration 315: trace = 2.653861137992869 (4.55574e-07% change) linmin: converged after 11 iterations. iteration 316: trace = 2.653861122355589 (5.89228e-07% change) linmin: converged after 18 iterations. iteration 317: trace = 2.653861117798604 (1.71712e-07% change) large trace change predicted (4.97835e-07%) linmin: converged after 10 iterations. iteration 318: trace = 2.653861104586823 (4.97832e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.653861092670461 (4.4902e-07% change) linmin: converged after 3 iterations. iteration 320: trace = 2.653861087498114 (1.94899e-07% change) large trace change predicted (6.37322e-07%) linmin: converged after 2 iterations. iteration 321: trace = 2.653861070584414 (6.37324e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.653861067551996 (1.14264e-07% change) large trace change predicted (2.31387e-07%) linmin: converged after 4 iterations. iteration 323: trace = 2.65386106141127 (2.31388e-07% change) linmin: converged after 3 iterations. iteration 324: trace = 2.653861056695451 (1.77697e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105544654 (4.70601e-08% change) large trace change predicted (1.198e-07%) linmin: converged after 7 iterations. iteration 326: trace = 2.653861052267201 (1.19801e-07% change) linmin: converged after 8 iterations. iteration 327: trace = 2.653861049784804 (9.35391e-08% change) linmin: converged after 6 iterations. iteration 328: trace = 2.653861048816704 (3.64789e-08% change) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047196903 (6.10356e-08% change) linmin: converged after 25 iterations. iteration 330: trace = 2.653861046134907 (4.0017e-08% change) linmin: converged after 6 iterations. iteration 331: trace = 2.653861044752584 (5.20872e-08% change) linmin: converged after 3 iterations. iteration 332: trace = 2.653861042721359 (7.65385e-08% change) linmin: converged after 30 iterations. iteration 333: trace = 2.653861042116108 (2.28064e-08% change) large trace change predicted (1.13853e-07%) linmin: converged after 2 iterations. iteration 334: trace = 2.653861039094593 (1.13854e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861036131572 (1.11649e-07% change) linmin: converged after 27 iterations. iteration 336: trace = 2.653861034242886 (7.11675e-08% change) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030716774 (1.32867e-07% change) linmin: converged after 22 iterations. iteration 338: trace = 2.653861026751165 (1.49428e-07% change) linmin: converged after 3 iterations. iteration 339: trace = 2.653861023211925 (1.33362e-07% change) linmin: converged after 3 iterations. iteration 340: trace = 2.653861021859958 (5.09434e-08% change) large trace change predicted (1.35994e-07%) linmin: converged after 4 iterations. iteration 341: trace = 2.653861018250889 (1.35993e-07% change) linmin: converged after 4 iterations. iteration 342: trace = 2.653861017185342 (4.01508e-08% change) large trace change predicted (8.60729e-08%) linmin: converged after 29 iterations. iteration 343: trace = 2.653861014901093 (8.60727e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861012009986 (1.0894e-07% change) linmin: converged after 32 iterations. iteration 345: trace = 2.653861011520676 (1.84377e-08% change) large trace change predicted (7.53211e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.65386100952177 (7.53207e-08% change) linmin: converged after 11 iterations. iteration 347: trace = 2.653861008483884 (3.91085e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861008068904 (1.56368e-08% change) large trace change predicted (4.68855e-08%) linmin: converged after 2 iterations. iteration 349: trace = 2.65386100682463 (4.68854e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861006025447 (3.0114e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.653861005676052 (1.31655e-08% change) large trace change predicted (2.95944e-08%) linmin: converged after 2 iterations. iteration 352: trace = 2.653861004890656 (2.95945e-08% change) linmin: converged after 6 iterations. iteration 353: trace = 2.653861003736128 (4.35037e-08% change) linmin: converged after 18 iterations. iteration 354: trace = 2.653861003287212 (1.69156e-08% change) large trace change predicted (6.13576e-08%) linmin: converged after 15 iterations. iteration 355: trace = 2.653861001658863 (6.13578e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.653861001224155 (1.63802e-08% change) large trace change predicted (6.75109e-08%) linmin: converged after 4 iterations. iteration 357: trace = 2.65386099943251 (6.75109e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653860997557949 (7.06353e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996942836 (2.31781e-08% change) large trace change predicted (7.98076e-08%) linmin: converged after 4 iterations. iteration 360: trace = 2.653860994824857 (7.98075e-08% change) linmin: converged after 4 iterations. iteration 361: trace = 2.653860993724631 (4.14575e-08% change) linmin: converged after 3 iterations. iteration 362: trace = 2.653860992369909 (5.10472e-08% change) linmin: converged after 4 iterations. iteration 363: trace = 2.653860990436661 (7.28466e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989954883 (1.81539e-08% change) large trace change predicted (4.99506e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860988629264 (4.99506e-08% change) linmin: converged after 2 iterations. iteration 366: trace = 2.653860987592098 (3.90814e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.653860987302343 (1.09183e-08% change) large trace change predicted (2.99052e-08%) linmin: converged after 4 iterations. iteration 368: trace = 2.653860986508704 (2.99051e-08% change) linmin: converged after 2 iterations. iteration 369: trace = 2.653860985777513 (2.7552e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985541496 (8.89336e-09% change) linmin: converged after 5 iterations. iteration 371: trace = 2.653860985182945 (1.35105e-08% change) linmin: converged after 9 iterations. iteration 372: trace = 2.653860984531133 (2.45609e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.653860984357667 (6.53637e-09% change) large trace change predicted (3.17096e-08%) linmin: converged after 4 iterations. iteration 374: trace = 2.653860983516143 (3.17094e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860982746636 (2.89958e-08% change) linmin: converged after 6 iterations. iteration 376: trace = 2.653860982367601 (1.42824e-08% change) large trace change predicted (5.63534e-08%) linmin: converged after 2 iterations. iteration 377: trace = 2.65386098087206 (5.63534e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.653860980325325 (2.06015e-08% change) large trace change predicted (7.91561e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978224627 (7.91563e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.65386097657802 (6.20457e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.653860974677374 (7.16182e-08% change) linmin: converged after 3 iterations. iteration 382: trace = 2.653860974248397 (1.61642e-08% change) large trace change predicted (5.56889e-08%) linmin: converged after 10 iterations. iteration 383: trace = 2.653860972770481 (5.56893e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860971403246 (5.15187e-08% change) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971106946 (1.11648e-08% change) large trace change predicted (4.60698e-08%) linmin: converged after 24 iterations. iteration 386: trace = 2.653860969884318 (4.60698e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.65386096918897 (2.62014e-08% change) linmin: converged after 15 iterations. iteration 388: trace = 2.65386096901819 (6.43513e-09% change) large trace change predicted (1.86457e-08%) linmin: converged after 18 iterations. iteration 389: trace = 2.653860968523357 (1.86458e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968158674 (1.37416e-08% change) linmin: converged after 35 iterations. iteration 391: trace = 2.653860967960512 (7.46696e-09% change) linmin: converged after 3 iterations. iteration 392: trace = 2.653860967648039 (1.17743e-08% change) linmin: converged after 18 iterations. iteration 393: trace = 2.653860967490427 (5.93898e-09% change) linmin: converged after 4 iterations. iteration 394: trace = 2.653860967241791 (9.36887e-09% change) linmin: converged after 2 iterations. iteration 395: trace = 2.653860966809531 (1.6288e-08% change) linmin: converged after 6 iterations. iteration 396: trace = 2.653860966706069 (3.89855e-09% change) large trace change predicted (2.54919e-08%) linmin: converged after 23 iterations. iteration 397: trace = 2.653860966029556 (2.54917e-08% change) linmin: converged after 6 iterations. iteration 398: trace = 2.653860965630015 (1.50551e-08% change) linmin: converged after 3 iterations. iteration 399: trace = 2.653860965304476 (1.22666e-08% change) large trace change predicted (2.54255e-08%) linmin: converged after 25 iterations. iteration 400: trace = 2.65386096462972 (2.54254e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964155916 (1.78534e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.653860963907952 (9.34351e-09% change) large trace change predicted (2.29606e-08%) linmin: converged after 6 iterations. iteration 403: trace = 2.653860963298608 (2.29606e-08% change) linmin: converged after 3 iterations. iteration 404: trace = 2.653860962880434 (1.57572e-08% change) linmin: converged after 26 iterations. iteration 405: trace = 2.653860962648136 (8.7532e-09% change) linmin: converged after 5 iterations. iteration 406: trace = 2.653860962335183 (1.17924e-08% change) linmin: converged after 24 iterations. iteration 407: trace = 2.653860962126452 (7.86516e-09% change) linmin: converged after 8 iterations. iteration 408: trace = 2.653860962024114 (3.85618e-09% change) linmin: converged after 2 iterations. iteration 409: trace = 2.653860961824432 (7.52421e-09% change) linmin: converged after 21 iterations. iteration 410: trace = 2.653860961752544 (2.70882e-09% change) linmin: converged after 7 iterations. iteration 411: trace = 2.653860961683975 (2.58373e-09% change) linmin: converged after 5 iterations. iteration 412: trace = 2.653860961592263 (3.45581e-09% change) linmin: converged after 10 iterations. iteration 413: trace = 2.653860961543851 (1.82422e-09% change) linmin: converged after 4 iterations. iteration 414: trace = 2.653860961479011 (2.4432e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961392956 (3.24266e-09% change) linmin: converged after 5 iterations. iteration 416: trace = 2.65386096131743 (2.84587e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961274856 (1.60424e-09% change) large trace change predicted (7.61443e-09%) linmin: converged after 19 iterations. iteration 418: trace = 2.653860961072778 (7.61449e-09% change) linmin: converged after 4 iterations. iteration 419: trace = 2.653860960828427 (9.20737e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.653860960647904 (6.80228e-09% change) linmin: converged after 19 iterations. iteration 421: trace = 2.653860960488238 (6.01639e-09% change) linmin: converged after 15 iterations. iteration 422: trace = 2.653860960457683 (1.15131e-09% change) linmin: converged after 4 iterations. iteration 423: trace = 2.653860960397895 (2.25288e-09% change) linmin: converged after 4 iterations. iteration 424: trace = 2.653860960331005 (2.52048e-09% change) linmin: converged after 19 iterations. iteration 425: trace = 2.653860960313058 (6.76259e-10% change) large trace change predicted (3.02963e-09%) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960232654 (3.02972e-09% change) linmin: converged after 18 iterations. iteration 427: trace = 2.653860960202634 (1.13116e-09% change) linmin: converged after 15 iterations. iteration 428: trace = 2.653860960151567 (1.92426e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960075439 (2.86859e-09% change) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960049703 (9.69752e-10% change) large trace change predicted (3.48318e-09%) linmin: converged after 2 iterations. iteration 431: trace = 2.653860959957266 (3.48312e-09% change) linmin: converged after 4 iterations. iteration 432: trace = 2.653860959834929 (4.60977e-09% change) linmin: converged after 21 iterations. iteration 433: trace = 2.653860959792721 (1.59042e-09% change) large trace change predicted (5.51401e-09%) linmin: converged after 3 iterations. iteration 434: trace = 2.65386095964639 (5.51391e-09% change) linmin: converged after 9 iterations. iteration 435: trace = 2.653860959509967 (5.14053e-09% change) linmin: converged after 8 iterations. iteration 436: trace = 2.653860959455933 (2.03606e-09% change) large trace change predicted (6.5289e-09%) linmin: converged after 9 iterations. iteration 437: trace = 2.653860959282671 (6.5287e-09% change) linmin: converged after 24 iterations. iteration 438: trace = 2.65386095908555 (7.42767e-09% change) linmin: converged after 4 iterations. iteration 439: trace = 2.653860959040805 (1.68604e-09% change) large trace change predicted (8.09764e-09%) linmin: converged after 3 iterations. iteration 440: trace = 2.653860958825907 (8.09759e-09% change) linmin: converged after 10 iterations. iteration 441: trace = 2.653860958707799 (4.4504e-09% change) linmin: converged after 16 iterations. iteration 442: trace = 2.653860958660138 (1.79593e-09% change) large trace change predicted (5.15645e-09%) linmin: converged after 4 iterations. iteration 443: trace = 2.653860958523291 (5.15652e-09% change) linmin: converged after 13 iterations. iteration 444: trace = 2.653860958429302 (3.54157e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958410826 (6.96206e-10% change) large trace change predicted (2.13082e-09%) linmin: converged after 12 iterations. iteration 446: trace = 2.653860958354281 (2.13069e-09% change) linmin: converged after 12 iterations. iteration 447: trace = 2.653860958306856 (1.78701e-09% change) linmin: converged after 16 iterations. iteration 448: trace = 2.653860958291415 (5.81831e-10% change) large trace change predicted (2.31693e-09%) linmin: converged after 14 iterations. iteration 449: trace = 2.653860958229925 (2.31702e-09% change) linmin: converged after 9 iterations. iteration 450: trace = 2.653860958176105 (2.02796e-09% change) linmin: converged after 15 iterations. iteration 451: trace = 2.653860958134957 (1.55051e-09% change) linmin: converged after 13 iterations. iteration 452: trace = 2.653860958103313 (1.19238e-09% change) large trace change predicted (3.16997e-09%) linmin: converged after 3 iterations. iteration 453: trace = 2.653860958019188 (3.1699e-09% change) linmin: converged after 16 iterations. iteration 454: trace = 2.653860957973268 (1.73033e-09% change) linmin: converged after 13 iterations. iteration 455: trace = 2.653860957912659 (2.28378e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.653860957802967 (4.13333e-09% change) linmin: converged after 21 iterations. iteration 457: trace = 2.653860957776588 (9.93982e-10% change) large trace change predicted (2.49512e-09%) linmin: converged after 2 iterations. iteration 458: trace = 2.65386095771037 (2.49516e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.653860957609381 (3.80536e-09% change) linmin: converged after 6 iterations. iteration 460: trace = 2.653860957587652 (8.18763e-10% change) large trace change predicted (3.53265e-09%) linmin: converged after 9 iterations. iteration 461: trace = 2.653860957493902 (3.53257e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957453567 (1.51989e-09% change) linmin: converged after 4 iterations. iteration 463: trace = 2.653860957425482 (1.05826e-09% change) linmin: converged after 8 iterations. iteration 464: trace = 2.653860957392035 (1.26032e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.653860957373471 (6.99502e-10% change) linmin: converged after 3 iterations. iteration 466: trace = 2.653860957355178 (6.89295e-10% change) linmin: converged after 6 iterations. iteration 467: trace = 2.653860957335606 (7.37488e-10% change) linmin: converged after 6 iterations. iteration 468: trace = 2.653860957330625 (1.87702e-10% change) large trace change predicted (5.11928e-10%) linmin: converged after 12 iterations. iteration 469: trace = 2.65386095731704 (5.11901e-10% change) linmin: converged after 3 iterations. iteration 470: trace = 2.653860957302546 (5.46121e-10% change) linmin: converged after 13 iterations. iteration 471: trace = 2.653860957299613 (1.10543e-10% change) large trace change predicted (6.33462e-10%) linmin: converged after 6 iterations. iteration 472: trace = 2.6538609572828 (6.33521e-10% change) linmin: converged after 7 iterations. iteration 473: trace = 2.653860957267194 (5.88039e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.653860957254259 (4.87403e-10% change) linmin: converged after 3 iterations. iteration 475: trace = 2.653860957244893 (3.52947e-10% change) large trace change predicted (8.70554e-10%) linmin: converged after 3 iterations. iteration 476: trace = 2.653860957221787 (8.70638e-10% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957203586 (6.85848e-10% change) linmin: converged after 12 iterations. iteration 478: trace = 2.653860957193507 (3.79771e-10% change) large trace change predicted (1.15727e-09%) linmin: converged after 7 iterations. iteration 479: trace = 2.653860957162796 (1.15722e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.653860957152354 (3.93476e-10% change) large trace change predicted (7.91997e-10%) linmin: converged after 2 iterations. iteration 481: trace = 2.653860957131337 (7.91939e-10% change) linmin: converged after 12 iterations. iteration 482: trace = 2.653860957105225 (9.83925e-10% change) linmin: converged after 15 iterations. iteration 483: trace = 2.653860957096376 (3.33436e-10% change) large trace change predicted (7.68681e-10%) linmin: converged after 4 iterations. iteration 484: trace = 2.653860957075975 (7.68713e-10% change) linmin: converged after 7 iterations. iteration 485: trace = 2.653860957061548 (5.43628e-10% change) linmin: converged after 4 iterations. iteration 486: trace = 2.653860957054837 (2.52863e-10% change) linmin: converged after 3 iterations. iteration 487: trace = 2.653860957047202 (2.87719e-10% change) linmin: converged after 3 iterations. iteration 488: trace = 2.653860957042094 (1.92454e-10% change) linmin: converged after 3 iterations. iteration 489: trace = 2.653860957037943 (1.5641e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.65386095703434 (1.35794e-10% change) linmin: converged after 6 iterations. iteration 491: trace = 2.653860957030801 (1.33351e-10% change) linmin: converged after 3 iterations. iteration 492: trace = 2.653860957025126 (2.1384e-10% change) linmin: converged after 3 iterations. iteration 493: trace = 2.65386095702037 (1.79218e-10% change) linmin: converged after 9 iterations. iteration 494: trace = 2.653860957012349 (3.02211e-10% change) linmin: converged after 3 iterations. iteration 495: trace = 2.653860957000387 (4.50739e-10% change) linmin: converged after 3 iterations. iteration 496: trace = 2.65386095699586 (1.706e-10% change) large trace change predicted (5.37929e-10%) linmin: converged after 4 iterations. iteration 497: trace = 2.653860956981582 (5.38005e-10% change) linmin: converged after 9 iterations. iteration 498: trace = 2.65386095696949 (4.55642e-10% change) linmin: converged after 9 iterations. iteration 499: trace = 2.653860956964063 (2.04503e-10% change) large trace change predicted (5.82409e-10%) linmin: converged after 3 iterations. iteration 500: trace = 2.653860956948609 (5.82316e-10% change) linmin: converged after 2 iterations. iteration 501: trace = 2.653860956942851 (2.16952e-10% change) linmin: converged after 3 iterations. iteration 502: trace = 2.653860956932339 (3.96103e-10% change) linmin: converged after 2 iterations. iteration 503: trace = 2.653860956920813 (4.34323e-10% change) linmin: converged after 3 iterations. iteration 504: trace = 2.653860956917655 (1.18977e-10% change) large trace change predicted (3.26651e-10%) linmin: converged after 2 iterations. iteration 505: trace = 2.653860956908983 (3.26792e-10% change) linmin: converged after 3 iterations. iteration 506: trace = 2.653860956902382 (2.48713e-10% change) linmin: converged after 5 iterations. iteration 507: trace = 2.653860956900614 (6.66336e-11% change) Finished solving for bands 1 to 10 after 507 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: 3.8346352577209473 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767192045163025 (3.67887% change) linmin: converged after 12 iterations. iteration 2: trace = 2.669057380357486 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626109110742 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397560818022 (0.547987% change) linmin: converged after 5 iterations. iteration 5: trace = 2.564425789247123 (0.969058% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271003184409 (0.0840614% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519452644537 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.5533812062184 (0.161938% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758159301232 (0.0635848% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676145701263 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042257271972 (0.0641279% change) linmin: converged after 5 iterations. iteration 12: trace = 2.545109407132459 (0.0759149% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744874672027 (0.0536283% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493569722713 (0.00987982% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654865255261 (0.0329799% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233437169567 (0.0165757% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989490215497 (0.00959623% change) large trace change predicted (0.0296917%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222886559927 (0.0301622% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916754194661 (0.0120474% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420138084658 (0.0195467% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069646846972 (0.0137975% change) linmin: converged after 4 iterations. iteration 22: trace = 2.53991319211357 (0.00615966% change) large trace change predicted (0.0132667%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574241822349 (0.0133458% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320168380693 (0.0100051% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190156451761 (0.00512008% change) large trace change predicted (0.0109149%) linmin: converged after 3 iterations. iteration 26: trace = 2.538912105880391 (0.010951% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826558903819 (0.00336949% change) large trace change predicted (0.00728293%) linmin: converged after 5 iterations. iteration 28: trace = 2.538640922020423 (0.00731218% change) linmin: converged after 4 iterations. iteration 29: trace = 2.538416115055694 (0.0088558% change) linmin: converged after 5 iterations. iteration 30: trace = 2.538329681714421 (0.00340507% change) large trace change predicted (0.0126404%) linmin: converged after 4 iterations. iteration 31: trace = 2.538007652449731 (0.0126875% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917254792359 (0.00356182% change) large trace change predicted (0.0118588%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615514542672 (0.01189% change) linmin: converged after 3 iterations. iteration 34: trace = 2.53744664420911 (0.00665491% change) linmin: converged after 4 iterations. iteration 35: trace = 2.537337487891875 (0.00430191% change) large trace change predicted (0.0106116%) linmin: converged after 6 iterations. iteration 36: trace = 2.537068033653169 (0.0106201% change) linmin: converged after 3 iterations. iteration 37: trace = 2.53699943464511 (0.00270391% change) large trace change predicted (0.0111009%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717394141688 (0.0111177% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633734665125 (0.003298% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477822463409 (0.00614661% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329218818773 (0.00585883% change) linmin: converged after 3 iterations. iteration 42: trace = 2.53615020102548 (0.00705839% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989255703162 (0.00634625% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865706424353 (0.00487196% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703192587326 (0.00640882% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652227616092 (0.00200992% change) large trace change predicted (0.00754028%) linmin: converged after 3 iterations. iteration 47: trace = 2.53546107910786 (0.00753872% change) linmin: converged after 3 iterations. iteration 48: trace = 2.535421748870608 (0.00155122% change) large trace change predicted (0.00506183%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293468493803 (0.00505966% change) linmin: converged after 4 iterations. iteration 50: trace = 2.535212823182918 (0.00318096% change) linmin: converged after 9 iterations. iteration 51: trace = 2.535125064719677 (0.00346164% change) linmin: converged after 4 iterations. iteration 52: trace = 2.5349509031445 (0.00687018% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873114315107 (0.0030687% change) large trace change predicted (0.00863851%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655262783688 (0.00859455% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598374640847 (0.00224444% change) large trace change predicted (0.00574966%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453143671912 (0.0057301% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390112619761 (0.002487% change) linmin: converged after 5 iterations. iteration 58: trace = 2.534330756155766 (0.00234207% change) linmin: converged after 4 iterations. iteration 59: trace = 2.534233966213133 (0.00381922% change) linmin: converged after 3 iterations. iteration 60: trace = 2.534207675681939 (0.00103742% change) large trace change predicted (0.0030975%) linmin: converged after 6 iterations. iteration 61: trace = 2.534129221285733 (0.00309586% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095670360006 (0.00132397% change) large trace change predicted (0.00285535%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023378172555 (0.00285282% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533958013125194 (0.00257953% change) linmin: converged after 3 iterations. iteration 65: trace = 2.533883392389698 (0.00294487% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772608404004 (0.0043722% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730667933859 (0.00165527% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365915475089 (0.00282249% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617380418967 (0.00164879% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588522803026 (0.001139% change) linmin: converged after 5 iterations. iteration 71: trace = 2.533564665548087 (0.000941643% change) linmin: converged after 6 iterations. iteration 72: trace = 2.533539618364233 (0.000988619% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522906468145 (0.000659629% change) large trace change predicted (0.00183841%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476249005274 (0.00184162% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464174381763 (0.000476604% change) large trace change predicted (0.00275226%) linmin: converged after 5 iterations. iteration 76: trace = 2.533394202119549 (0.00276196% change) linmin: converged after 10 iterations. iteration 77: trace = 2.533360209152475 (0.0013418% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332274267103 (0.00110269% change) large trace change predicted (0.00246268%) linmin: converged after 4 iterations. iteration 79: trace = 2.533269609255164 (0.00247365% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217623027478 (0.00205216% change) linmin: converged after 4 iterations. iteration 81: trace = 2.533191364656076 (0.00103657% change) large trace change predicted (0.00237285%) linmin: converged after 6 iterations. iteration 82: trace = 2.533131006388617 (0.00238273% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533113008962917 (0.000710484% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088875728426 (0.000952715% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060210964731 (0.00113162% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052336070403 (0.000310885% change) large trace change predicted (0.000754712%) linmin: converged after 3 iterations. iteration 87: trace = 2.53303320837675 (0.000755127% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014413116766 (0.000742009% change) linmin: converged after 4 iterations. iteration 89: trace = 2.53300139548469 (0.00051392% change) linmin: converged after 4 iterations. iteration 90: trace = 2.53297623352843 (0.00099337% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972382311616 (0.000152043% change) large trace change predicted (0.000749633%) linmin: converged after 6 iterations. iteration 92: trace = 2.532953408161689 (0.000749089% change) linmin: converged after 4 iterations. iteration 93: trace = 2.532934947778483 (0.000728811% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926920734985 (0.000316907% change) large trace change predicted (0.00178259%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881948782389 (0.00177551% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858314027711 (0.000933121% change) linmin: converged after 3 iterations. iteration 97: trace = 2.532819821785889 (0.00151973% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786169467268 (0.00132866% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774323054985 (0.000467724% change) large trace change predicted (0.00101699%) linmin: converged after 5 iterations. iteration 100: trace = 2.532748610017113 (0.00101522% change) linmin: converged after 10 iterations. iteration 101: trace = 2.532735591407811 (0.000514012% change) linmin: converged after 6 iterations. iteration 102: trace = 2.53272596494108 (0.000380083% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712960913022 (0.000513441% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704595744002 (0.000330285% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697442671518 (0.000282429% change) large trace change predicted (0.000634618%) linmin: converged after 3 iterations. iteration 106: trace = 2.532681377273767 (0.000634322% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678264492637 (0.000122905% change) large trace change predicted (0.000365881%) linmin: converged after 3 iterations. iteration 108: trace = 2.53266899969015 (0.000365811% change) linmin: converged after 3 iterations. iteration 109: trace = 2.53266259492811 (0.000252886% change) linmin: converged after 7 iterations. iteration 110: trace = 2.532659614140498 (0.000117694% change) large trace change predicted (0.00048464%) linmin: converged after 4 iterations. iteration 111: trace = 2.532647336020611 (0.000484793% change) linmin: converged after 5 iterations. iteration 112: trace = 2.532643035903972 (0.000169788% change) large trace change predicted (0.00119129%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612846800416 (0.00119201% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592063234743 (0.000820641% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581469721721 (0.000418288% change) large trace change predicted (0.00102424%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555499922985 (0.00102543% change) linmin: converged after 6 iterations. iteration 117: trace = 2.532535056413251 (0.000807232% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524469432566 (0.00041804% change) large trace change predicted (0.000840288%) linmin: converged after 3 iterations. iteration 119: trace = 2.532503184848721 (0.000840453% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499366164758 (0.000150787% change) large trace change predicted (0.00042853%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488511531764 (0.000428614% change) linmin: converged after 4 iterations. iteration 122: trace = 2.532482095951782 (0.000253331% change) linmin: converged after 4 iterations. iteration 123: trace = 2.532479992867226 (8.30444e-05% change) large trace change predicted (0.000283731%) linmin: converged after 3 iterations. iteration 124: trace = 2.53247280384149 (0.000283873% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467484148865 (0.000210059% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465651311215 (7.23736e-05% change) large trace change predicted (0.000445416%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454353763157 (0.00044611% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452272749749 (8.21738e-05% change) large trace change predicted (0.000327514%) linmin: converged after 3 iterations. iteration 129: trace = 2.532443972834015 (0.000327743% change) linmin: converged after 4 iterations. iteration 130: trace = 2.532434385947424 (0.000378563% change) linmin: converged after 3 iterations. iteration 131: trace = 2.53243172126282 (0.000105222% change) large trace change predicted (0.00050799%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418839054643 (0.000508691% change) linmin: converged after 4 iterations. iteration 133: trace = 2.532413400841182 (0.000214744% change) large trace change predicted (0.000485106%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401111138083 (0.000485297% change) linmin: converged after 5 iterations. iteration 135: trace = 2.532386155966053 (0.000590555% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381543521632 (0.000182138% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372871851896 (0.000342432% change) linmin: converged after 3 iterations. iteration 138: trace = 2.532367991177046 (0.000192731% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366691649195 (5.13167e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.532365682102617 (3.98657e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.532363841843478 (7.26696e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361033830604 (0.000110885% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359827253318 (4.76463e-05% change) large trace change predicted (0.000180915%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355246384728 (0.000180893% change) linmin: converged after 3 iterations. iteration 145: trace = 2.532352431420141 (0.00011116% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349386068224 (0.000120258% change) linmin: converged after 3 iterations. iteration 147: trace = 2.532343690244271 (0.000224923% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342311997953 (5.44257e-05% change) large trace change predicted (0.000211673%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336953495586 (0.000211603% change) linmin: converged after 3 iterations. iteration 150: trace = 2.532333398748359 (0.000140374% change) linmin: converged after 3 iterations. iteration 151: trace = 2.53233206340305 (5.27318e-05% change) large trace change predicted (0.000151583%) linmin: converged after 4 iterations. iteration 152: trace = 2.532328227235385 (0.000151488% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325504192802 (0.000107531% change) linmin: converged after 9 iterations. iteration 154: trace = 2.532323601371002 (7.51413e-05% change) linmin: converged after 10 iterations. iteration 155: trace = 2.532320459830568 (0.000124058% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319680363335 (3.07808e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.532318510691772 (4.61897e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316950800764 (6.15993e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.532316545711181 (1.59968e-05% change) large trace change predicted (5.19803e-05%) linmin: converged after 4 iterations. iteration 160: trace = 2.532315229303383 (5.19843e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.532314312430767 (3.62069e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.532313519350129 (3.13184e-05% change) large trace change predicted (8.52185e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311361450239 (8.52146e-05% change) linmin: converged after 8 iterations. iteration 164: trace = 2.532309906699845 (5.74475e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308444593908 (5.7738e-05% change) large trace change predicted (0.000170452%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304127446988 (0.000170483% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303102007244 (4.04943e-05% change) large trace change predicted (0.000115221%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300183750544 (0.000115241% change) linmin: converged after 4 iterations. iteration 169: trace = 2.532297899414583 (9.0208e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297160907362 (2.91635e-05% change) large trace change predicted (6.51906e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295510443508 (6.51766e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532292974814544 (0.000100132% change) linmin: converged after 4 iterations. iteration 173: trace = 2.532292310079173 (2.62503e-05% change) large trace change predicted (8.53907e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.532290147413309 (8.54035e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289313308759 (3.29387e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.532288395005148 (3.62638e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287611764696 (3.09301e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287300796842 (1.22801e-05% change) large trace change predicted (3.85796e-05%) linmin: converged after 4 iterations. iteration 179: trace = 2.532286323773537 (3.85826e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.532284993557319 (5.25303e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284483095969 (2.01581e-05% change) large trace change predicted (0.000118579%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281477154776 (0.000118705% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532278647823394 (0.000111731% change) linmin: converged after 4 iterations. iteration 184: trace = 2.532277674018113 (3.84557e-05% change) large trace change predicted (0.000116096%) linmin: converged after 5 iterations. iteration 185: trace = 2.532274728164526 (0.000116332% change) linmin: converged after 4 iterations. iteration 186: trace = 2.53227327613244 (5.7341e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.532271512129673 (6.96609e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532268544221009 (0.000117203% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532267980604649 (2.22574e-05% change) large trace change predicted (0.000102166%) linmin: converged after 3 iterations. iteration 190: trace = 2.532265393040538 (0.000102184% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264296108059 (4.33182e-05% change) linmin: converged after 4 iterations. iteration 192: trace = 2.532263413125831 (3.48693e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262357948994 (4.16693e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532261780449685 (2.28057e-05% change) linmin: converged after 6 iterations. iteration 195: trace = 2.532260921097122 (3.39362e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.532259374117901 (6.10908e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.532259063480756 (1.22672e-05% change) large trace change predicted (5.51749e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.532257666917385 (5.51509e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.532256854302601 (3.20905e-05% change) linmin: converged after 8 iterations. iteration 200: trace = 2.532256077019117 (3.06953e-05% change) large trace change predicted (6.61116e-05%) linmin: converged after 10 iterations. iteration 201: trace = 2.532254404190157 (6.60608e-05% change) linmin: converged after 8 iterations. iteration 202: trace = 2.532253700674978 (2.77822e-05% change) large trace change predicted (6.65527e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.53225201639963 (6.65129e-05% change) linmin: converged after 5 iterations. iteration 204: trace = 2.532249373106495 (0.000104385% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532248947067088 (1.68245e-05% change) large trace change predicted (6.09808e-05%) linmin: converged after 5 iterations. iteration 206: trace = 2.532247404156568 (6.09305e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532246626059952 (3.07275e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246396263067 (9.07482e-06% change) large trace change predicted (4.58302e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.532245235961194 (4.58211e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.532245059590031 (6.96501e-06% change) large trace change predicted (1.75892e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244614143417 (1.7591e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244332059582 (1.11397e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.532243961673777 (1.46268e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243393266938 (2.24468e-05% change) linmin: converged after 6 iterations. iteration 215: trace = 2.532243012965021 (1.50184e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.532242407793118 (2.38987e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532241470456622 (3.70161e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.532241258807642 (8.35817e-06% change) large trace change predicted (3.25093e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.532240435246127 (3.2523e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532239921315042 (2.02955e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239613290589 (1.21641e-05% change) large trace change predicted (2.80455e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.532238902788354 (2.80583e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238422859413 (1.89528e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.532238105502279 (1.25327e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237512758263 (2.34079e-05% change) linmin: converged after 9 iterations. iteration 226: trace = 2.532237422475582 (3.56533e-06% change) large trace change predicted (1.22361e-05%) linmin: converged after 2 iterations. iteration 227: trace = 2.532237112625669 (1.22362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532236922691033 (7.50067e-06% change) linmin: converged after 5 iterations. iteration 229: trace = 2.53223683133392 (3.60776e-06% change) large trace change predicted (1.4599e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.5322364616746 (1.45981e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.532236386820632 (2.95604e-06% change) large trace change predicted (1.50446e-05%) linmin: converged after 4 iterations. iteration 232: trace = 2.532236005902005 (1.50428e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.532235567443446 (1.73151e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.532235324936102 (9.57681e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 2.532235061093175 (1.04194e-05% change) large trace change predicted (2.33799e-05%) linmin: converged after 9 iterations. iteration 236: trace = 2.532234469416107 (2.33658e-05% change) linmin: converged after 6 iterations. iteration 237: trace = 2.532234292981712 (6.96754e-06% change) large trace change predicted (1.92204e-05%) linmin: converged after 7 iterations. iteration 238: trace = 2.532233806503822 (1.92114e-05% change) linmin: converged after 13 iterations. iteration 239: trace = 2.532233567780011 (9.4274e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233518761116 (1.9358e-06% change) large trace change predicted (7.97524e-06%) linmin: converged after 4 iterations. iteration 241: trace = 2.532233316834005 (7.97427e-06% change) linmin: converged after 8 iterations. iteration 242: trace = 2.53223322602904 (3.58596e-06% change) linmin: converged after 6 iterations. iteration 243: trace = 2.532233139352723 (3.42292e-06% change) linmin: converged after 4 iterations. iteration 244: trace = 2.532232981391485 (6.23802e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.532232941782683 (1.56418e-06% change) large trace change predicted (5.80942e-06%) linmin: converged after 8 iterations. iteration 246: trace = 2.532232794675251 (5.8094e-06% change) linmin: converged after 2 iterations. iteration 247: trace = 2.532232655634834 (5.49082e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.53223260224804 (2.10829e-06% change) large trace change predicted (4.67847e-06%) linmin: converged after 4 iterations. iteration 249: trace = 2.532232483784177 (4.67824e-06% change) linmin: converged after 5 iterations. iteration 250: trace = 2.532232362957225 (4.77156e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.532232303957449 (2.32995e-06% change) large trace change predicted (1.13682e-05%) linmin: converged after 5 iterations. iteration 252: trace = 2.5322320160995 (1.13678e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.532231912547643 (4.08935e-06% change) large trace change predicted (1.08339e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231638229019 (1.08331e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.532231403565604 (9.26706e-06% change) linmin: converged after 21 iterations. iteration 256: trace = 2.532231277094745 (4.99444e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.532231194338745 (3.26811e-06% change) linmin: converged after 13 iterations. iteration 258: trace = 2.532231046316252 (5.84554e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 2.532231016811047 (1.16519e-06% change) large trace change predicted (3.74982e-06%) linmin: converged after 4 iterations. iteration 260: trace = 2.532230921855036 (3.7499e-06% change) linmin: converged after 23 iterations. iteration 261: trace = 2.532230862689733 (2.33649e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.53223083873709 (9.45911e-07% change) large trace change predicted (3.12221e-06%) linmin: converged after 23 iterations. iteration 263: trace = 2.532230759671736 (3.12236e-06% change) linmin: converged after 15 iterations. iteration 264: trace = 2.532230696501678 (2.49464e-06% change) linmin: converged after 7 iterations. iteration 265: trace = 2.532230652826942 (1.72475e-06% change) large trace change predicted (5.88601e-06%) linmin: converged after 4 iterations. iteration 266: trace = 2.532230503763672 (5.88664e-06% change) linmin: converged after 5 iterations. iteration 267: trace = 2.532230416800177 (3.43426e-06% change) linmin: converged after 6 iterations. iteration 268: trace = 2.532230282776104 (5.29273e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.532230176448649 (4.19896e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230129390047 (1.85839e-06% change) large trace change predicted (5.01005e-06%) linmin: converged after 2 iterations. iteration 271: trace = 2.532230002519866 (5.01022e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.532229868163668 (5.30585e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229779225418 (3.51225e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.532229649583122 (5.11969e-06% change) linmin: converged after 11 iterations. iteration 275: trace = 2.532229621422921 (1.11207e-06% change) large trace change predicted (4.14646e-06%) linmin: converged after 9 iterations. iteration 276: trace = 2.532229516420666 (4.14663e-06% change) linmin: converged after 13 iterations. iteration 277: trace = 2.53222945506614 (2.42294e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.53222943390973 (8.35485e-07% change) large trace change predicted (2.24224e-06%) linmin: converged after 4 iterations. iteration 279: trace = 2.532229377130915 (2.24225e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.532229338167026 (1.53872e-06% change) linmin: converged after 16 iterations. iteration 281: trace = 2.532229324037591 (5.57984e-07% change) large trace change predicted (1.92946e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229275178154 (1.9295e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229224933658 (1.9842e-06% change) linmin: converged after 27 iterations. iteration 284: trace = 2.532229195756853 (1.15222e-06% change) large trace change predicted (3.43235e-06%) linmin: converged after 8 iterations. iteration 285: trace = 2.532229108837616 (3.43252e-06% change) linmin: converged after 8 iterations. iteration 286: trace = 2.532229070906173 (1.49795e-06% change) linmin: converged after 15 iterations. iteration 287: trace = 2.532229005434425 (2.58554e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.532228912261696 (3.67947e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228878857018 (1.31918e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.532228814352874 (2.54733e-06% change) linmin: converged after 11 iterations. iteration 291: trace = 2.532228759006485 (2.18568e-06% change) linmin: converged after 4 iterations. iteration 292: trace = 2.5322287287148 (1.19625e-06% change) large trace change predicted (2.94799e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228654071961 (2.94771e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228630826729 (9.17975e-07% change) large trace change predicted (2.12091e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.532228577125554 (2.12071e-06% change) linmin: converged after 10 iterations. iteration 296: trace = 2.532228551953613 (9.94063e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228539632578 (4.86569e-07% change) large trace change predicted (1.10488e-06%) linmin: converged after 4 iterations. iteration 298: trace = 2.532228511654962 (1.10486e-06% change) linmin: converged after 7 iterations. iteration 299: trace = 2.532228480410223 (1.23388e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.532228471096156 (3.67821e-07% change) large trace change predicted (1.74133e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.532228427004013 (1.74124e-06% change) linmin: converged after 7 iterations. iteration 302: trace = 2.532228385689038 (1.63157e-06% change) linmin: converged after 4 iterations. iteration 303: trace = 2.532228360133651 (1.00921e-06% change) large trace change predicted (2.41428e-06%) linmin: converged after 7 iterations. iteration 304: trace = 2.532228299004506 (2.41405e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.532228261234704 (1.49156e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.53222820816014 (2.09596e-06% change) linmin: converged after 13 iterations. iteration 307: trace = 2.532228137110495 (2.80582e-06% change) linmin: converged after 6 iterations. iteration 308: trace = 2.532228114967864 (8.74433e-07% change) linmin: converged after 12 iterations. iteration 309: trace = 2.532228086783509 (1.11303e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.532228061682376 (9.91267e-07% change) linmin: converged after 18 iterations. iteration 311: trace = 2.532228031642422 (1.18631e-06% change) linmin: converged after 12 iterations. iteration 312: trace = 2.532228022868124 (3.46505e-07% change) large trace change predicted (1.6377e-06%) linmin: converged after 2 iterations. iteration 313: trace = 2.532227981397549 (1.63771e-06% change) linmin: converged after 7 iterations. iteration 314: trace = 2.532227972677866 (3.44348e-07% change) large trace change predicted (1.54265e-06%) linmin: converged after 9 iterations. iteration 315: trace = 2.532227933613569 (1.54268e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.532227901120616 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227888180187 (5.11029e-07% change) large trace change predicted (1.51822e-06%) linmin: converged after 10 iterations. iteration 318: trace = 2.532227849732482 (1.51834e-06% change) linmin: converged after 2 iterations. iteration 319: trace = 2.532227811599739 (1.5059e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227794595986 (6.71494e-07% change) large trace change predicted (2.84518e-06%) linmin: converged after 7 iterations. iteration 321: trace = 2.532227722540139 (2.84555e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.532227687567286 (1.38111e-06% change) linmin: converged after 5 iterations. iteration 323: trace = 2.532227638964866 (1.91935e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.532227586592549 (2.06823e-06% change) linmin: converged after 12 iterations. iteration 325: trace = 2.53222757240693 (5.60203e-07% change) linmin: converged after 5 iterations. iteration 326: trace = 2.532227544172079 (1.11502e-06% change) linmin: converged after 2 iterations. iteration 327: trace = 2.532227512219513 (1.26184e-06% change) linmin: converged after 7 iterations. iteration 328: trace = 2.532227505887205 (2.50069e-07% change) large trace change predicted (1.12493e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.53222747740137 (1.12493e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227469121269 (3.26989e-07% change) large trace change predicted (1.07819e-06%) linmin: converged after 3 iterations. iteration 331: trace = 2.532227441820332 (1.07814e-06% change) linmin: converged after 5 iterations. iteration 332: trace = 2.532227419392461 (8.85697e-07% change) linmin: converged after 5 iterations. iteration 333: trace = 2.532227407145195 (4.83656e-07% change) large trace change predicted (1.26341e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227375155252 (1.26331e-06% change) linmin: converged after 7 iterations. iteration 335: trace = 2.532227321498544 (2.11895e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.53222730016528 (8.4247e-07% change) large trace change predicted (2.31631e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.53222724152096 (2.31592e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.532227214136874 (1.08142e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.532227203806219 (4.07967e-07% change) large trace change predicted (1.28324e-06%) linmin: converged after 4 iterations. iteration 340: trace = 2.532227171313901 (1.28315e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.53222714214733 (1.15181e-06% change) linmin: converged after 11 iterations. iteration 342: trace = 2.532227132986993 (3.6175e-07% change) large trace change predicted (9.37405e-07%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227109250781 (9.37365e-07% change) linmin: converged after 10 iterations. iteration 344: trace = 2.53222710170186 (2.98114e-07% change) large trace change predicted (6.41566e-07%) linmin: converged after 5 iterations. iteration 345: trace = 2.53222708545657 (6.41542e-07% change) linmin: converged after 4 iterations. iteration 346: trace = 2.532227074749795 (4.2282e-07% change) linmin: converged after 25 iterations. iteration 347: trace = 2.532227070120145 (1.82829e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227061347484 (3.46441e-07% change) large trace change predicted (7.25133e-07%) linmin: converged after 10 iterations. iteration 349: trace = 2.532227042985584 (7.25129e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.532227032001265 (4.33781e-07% change) linmin: converged after 4 iterations. iteration 351: trace = 2.532227021355288 (4.2042e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227018528629 (1.11627e-07% change) large trace change predicted (3.55816e-07%) linmin: converged after 5 iterations. iteration 353: trace = 2.532227009518536 (3.55817e-07% change) linmin: converged after 3 iterations. iteration 354: trace = 2.532227000110098 (3.71548e-07% change) linmin: converged after 16 iterations. iteration 355: trace = 2.532226996894193 (1.26999e-07% change) large trace change predicted (6.59201e-07%) linmin: converged after 4 iterations. iteration 356: trace = 2.532226980201057 (6.59227e-07% change) linmin: converged after 12 iterations. iteration 357: trace = 2.532226970981009 (3.64108e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226956224377 (5.82753e-07% change) linmin: converged after 10 iterations. iteration 359: trace = 2.532226940921706 (6.04317e-07% change) linmin: converged after 32 iterations. iteration 360: trace = 2.532226934325832 (2.60477e-07% change) large trace change predicted (5.71701e-07%) linmin: converged after 5 iterations. iteration 361: trace = 2.532226919848491 (5.71724e-07% change) linmin: converged after 6 iterations. iteration 362: trace = 2.532226899529127 (8.02431e-07% change) linmin: converged after 16 iterations. iteration 363: trace = 2.532226894115271 (2.13798e-07% change) large trace change predicted (6.38737e-07%) linmin: converged after 5 iterations. iteration 364: trace = 2.532226877940186 (6.38769e-07% change) linmin: converged after 5 iterations. iteration 365: trace = 2.532226862932139 (5.92682e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226859516136 (1.34901e-07% change) large trace change predicted (2.92625e-07%) linmin: converged after 14 iterations. iteration 367: trace = 2.532226852106154 (2.92627e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.532226845206031 (2.72492e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226842625343 (1.01914e-07% change) large trace change predicted (3.14336e-07%) linmin: converged after 4 iterations. iteration 370: trace = 2.532226834665654 (3.14336e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683284111 (7.20529e-08% change) large trace change predicted (2.86443e-07%) linmin: converged after 8 iterations. iteration 372: trace = 2.532226825587834 (2.86439e-07% change) linmin: converged after 11 iterations. iteration 373: trace = 2.532226819859058 (2.26235e-07% change) linmin: converged after 5 iterations. iteration 374: trace = 2.532226817278717 (1.019e-07% change) large trace change predicted (2.88992e-07%) linmin: converged after 6 iterations. iteration 375: trace = 2.532226809961338 (2.8897e-07% change) linmin: converged after 6 iterations. iteration 376: trace = 2.53222679694146 (5.14167e-07% change) linmin: converged after 19 iterations. iteration 377: trace = 2.532226794085944 (1.12767e-07% change) large trace change predicted (4.27732e-07%) linmin: converged after 6 iterations. iteration 378: trace = 2.532226783255718 (4.27696e-07% change) linmin: converged after 5 iterations. iteration 379: trace = 2.532226775828084 (2.93324e-07% change) linmin: converged after 6 iterations. iteration 380: trace = 2.532226773880708 (7.69037e-08% change) large trace change predicted (2.20078e-07%) linmin: converged after 6 iterations. iteration 381: trace = 2.532226768308129 (2.20066e-07% change) linmin: converged after 5 iterations. iteration 382: trace = 2.532226763443181 (1.92121e-07% change) linmin: converged after 5 iterations. iteration 383: trace = 2.532226761972826 (5.80657e-08% change) large trace change predicted (2.03208e-07%) linmin: converged after 11 iterations. iteration 384: trace = 2.532226756827222 (2.03205e-07% change) linmin: converged after 11 iterations. iteration 385: trace = 2.532226754726477 (8.29604e-08% change) linmin: converged after 6 iterations. iteration 386: trace = 2.532226751171404 (1.40393e-07% change) linmin: converged after 7 iterations. iteration 387: trace = 2.532226747795115 (1.33333e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226746356977 (5.67934e-08% change) linmin: converged after 9 iterations. iteration 389: trace = 2.532226743561327 (1.10403e-07% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226740212651 (1.32242e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226738455964 (6.93732e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.532226734979242 (1.37299e-07% change) linmin: converged after 14 iterations. iteration 393: trace = 2.532226728569906 (2.53111e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226726927974 (6.48414e-08% change) large trace change predicted (2.02333e-07%) linmin: converged after 21 iterations. iteration 395: trace = 2.532226721804354 (2.02337e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.532226717861316 (1.55714e-07% change) linmin: converged after 8 iterations. iteration 397: trace = 2.532226716535644 (5.2352e-08% change) large trace change predicted (1.60282e-07%) linmin: converged after 13 iterations. iteration 398: trace = 2.532226712476868 (1.60285e-07% change) linmin: converged after 16 iterations. iteration 399: trace = 2.532226711430153 (4.13358e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226709548159 (7.43217e-08% change) linmin: converged after 6 iterations. iteration 401: trace = 2.532226707623194 (7.60186e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.53222670718206 (1.74208e-08% change) large trace change predicted (7.92241e-08%) linmin: converged after 8 iterations. iteration 403: trace = 2.532226705175908 (7.92248e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.53222670431038 (3.41805e-08% change) linmin: converged after 12 iterations. iteration 405: trace = 2.532226702841314 (5.80148e-08% change) linmin: converged after 18 iterations. iteration 406: trace = 2.532226699971066 (1.13349e-07% change) linmin: converged after 5 iterations. iteration 407: trace = 2.532226697493734 (9.78321e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.532226695648335 (7.28766e-08% change) linmin: converged after 18 iterations. iteration 409: trace = 2.532226692201912 (1.36102e-07% change) linmin: converged after 19 iterations. iteration 410: trace = 2.53222668985198 (9.2801e-08% change) linmin: converged after 6 iterations. iteration 411: trace = 2.532226688485163 (5.39769e-08% change) large trace change predicted (1.39517e-07%) linmin: converged after 7 iterations. iteration 412: trace = 2.53222668495223 (1.39519e-07% change) linmin: converged after 4 iterations. iteration 413: trace = 2.532226684026071 (3.65749e-08% change) large trace change predicted (9.8508e-08%) linmin: converged after 13 iterations. iteration 414: trace = 2.532226681531623 (9.85081e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.532226679072552 (9.7111e-08% change) linmin: converged after 6 iterations. iteration 416: trace = 2.532226678266132 (3.18463e-08% change) large trace change predicted (7.32302e-08%) linmin: converged after 3 iterations. iteration 417: trace = 2.532226676411776 (7.32302e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.532226675930684 (1.89988e-08% change) linmin: converged after 5 iterations. iteration 419: trace = 2.532226675114865 (3.22175e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226674520886 (2.34568e-08% change) linmin: converged after 5 iterations. iteration 421: trace = 2.532226674207967 (1.23575e-08% change) large trace change predicted (5.96327e-08%) linmin: converged after 25 iterations. iteration 422: trace = 2.532226672697918 (5.96332e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.53222667203163 (2.63124e-08% change) large trace change predicted (6.96583e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.532226670267724 (6.96583e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226668480772 (7.05684e-08% change) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667866964 (2.42398e-08% change) large trace change predicted (8.3148e-08%) linmin: converged after 4 iterations. iteration 427: trace = 2.532226665761488 (8.31472e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226664557271 (4.75556e-08% change) linmin: converged after 5 iterations. iteration 429: trace = 2.532226663045557 (5.9699e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226661052858 (7.86935e-08% change) linmin: converged after 4 iterations. iteration 431: trace = 2.532226659598508 (5.74337e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226658669453 (3.66893e-08% change) linmin: converged after 24 iterations. iteration 433: trace = 2.532226657248406 (5.61185e-08% change) linmin: converged after 14 iterations. iteration 434: trace = 2.532226656699661 (2.16705e-08% change) linmin: converged after 2 iterations. iteration 435: trace = 2.532226655867938 (3.28455e-08% change) linmin: converged after 5 iterations. iteration 436: trace = 2.532226655024534 (3.33068e-08% change) linmin: converged after 19 iterations. iteration 437: trace = 2.532226654853085 (6.77068e-09% change) large trace change predicted (3.93645e-08%) linmin: converged after 4 iterations. iteration 438: trace = 2.532226653856296 (3.93641e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.53222665306298 (3.13288e-08% change) linmin: converged after 21 iterations. iteration 440: trace = 2.53222665265887 (1.59587e-08% change) large trace change predicted (3.73354e-08%) linmin: converged after 19 iterations. iteration 441: trace = 2.532226651713459 (3.73352e-08% change) linmin: converged after 6 iterations. iteration 442: trace = 2.532226650865377 (3.34915e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.53222664982967 (4.0901e-08% change) linmin: converged after 4 iterations. iteration 444: trace = 2.5322266477675 (8.1437e-08% change) linmin: converged after 20 iterations. iteration 445: trace = 2.532226646830583 (3.69997e-08% change) linmin: converged after 6 iterations. iteration 446: trace = 2.532226645266039 (6.17853e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.532226643783507 (5.85466e-08% change) linmin: converged after 6 iterations. iteration 448: trace = 2.532226643465906 (1.25423e-08% change) large trace change predicted (3.35446e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642616482 (3.35446e-08% change) linmin: converged after 5 iterations. iteration 450: trace = 2.532226641792593 (3.25361e-08% change) linmin: converged after 15 iterations. iteration 451: trace = 2.532226640759845 (4.07842e-08% change) linmin: converged after 14 iterations. iteration 452: trace = 2.532226640549357 (8.31239e-09% change) large trace change predicted (4.66452e-08%) linmin: converged after 4 iterations. iteration 453: trace = 2.532226639368196 (4.66451e-08% change) linmin: converged after 18 iterations. iteration 454: trace = 2.532226639072773 (1.16666e-08% change) large trace change predicted (3.52873e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638179224 (3.52871e-08% change) linmin: converged after 5 iterations. iteration 456: trace = 2.532226637257508 (3.63994e-08% change) linmin: converged after 13 iterations. iteration 457: trace = 2.532226636962479 (1.1651e-08% change) large trace change predicted (5.34515e-08%) linmin: converged after 4 iterations. iteration 458: trace = 2.532226635608954 (5.3452e-08% change) linmin: converged after 4 iterations. iteration 459: trace = 2.532226634849473 (2.99926e-08% change) linmin: converged after 10 iterations. iteration 460: trace = 2.5322266339205 (3.6686e-08% change) linmin: converged after 7 iterations. iteration 461: trace = 2.532226632067301 (7.31845e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.53222663092042 (4.52914e-08% change) linmin: converged after 7 iterations. iteration 463: trace = 2.532226630252143 (2.63909e-08% change) linmin: converged after 4 iterations. iteration 464: trace = 2.53222662909794 (4.55806e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.53222662857571 (2.06233e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.532226628033396 (2.14165e-08% change) linmin: converged after 18 iterations. iteration 467: trace = 2.532226627130709 (3.56479e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226626986287 (5.70337e-09% change) large trace change predicted (2.75595e-08%) linmin: converged after 12 iterations. iteration 469: trace = 2.532226626288405 (2.756e-08% change) linmin: converged after 18 iterations. iteration 470: trace = 2.532226625924587 (1.43675e-08% change) linmin: converged after 10 iterations. iteration 471: trace = 2.532226625614535 (1.22443e-08% change) large trace change predicted (2.89043e-08%) linmin: converged after 24 iterations. iteration 472: trace = 2.532226624882627 (2.89037e-08% change) linmin: converged after 6 iterations. iteration 473: trace = 2.532226624645749 (9.3545e-09% change) large trace change predicted (3.92612e-08%) linmin: converged after 7 iterations. iteration 474: trace = 2.53222662365157 (3.92611e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622203749 (5.71758e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226621786479 (1.64784e-08% change) large trace change predicted (3.44614e-08%) linmin: converged after 11 iterations. iteration 477: trace = 2.532226620913853 (3.44608e-08% change) linmin: converged after 10 iterations. iteration 478: trace = 2.532226620129062 (3.09921e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.532226619389769 (2.91954e-08% change) linmin: converged after 7 iterations. iteration 480: trace = 2.532226619121213 (1.06055e-08% change) large trace change predicted (3.13229e-08%) linmin: converged after 8 iterations. iteration 481: trace = 2.532226618328066 (3.13221e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618071341 (1.01383e-08% change) large trace change predicted (2.20549e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226617512868 (2.20546e-08% change) linmin: converged after 28 iterations. iteration 484: trace = 2.532226617158118 (1.40094e-08% change) linmin: converged after 15 iterations. iteration 485: trace = 2.532226616990453 (6.62123e-09% change) linmin: converged after 4 iterations. iteration 486: trace = 2.532226616740968 (9.85241e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226616452942 (1.13744e-08% change) linmin: converged after 24 iterations. iteration 488: trace = 2.532226616350514 (4.04497e-09% change) large trace change predicted (6.3693e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.532226614737656 (6.36932e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226614356043 (1.50703e-08% change) linmin: converged after 8 iterations. iteration 491: trace = 2.532226613708098 (2.5588e-08% change) linmin: converged after 12 iterations. iteration 492: trace = 2.532226613481639 (8.94305e-09% change) linmin: converged after 18 iterations. iteration 493: trace = 2.532226613390855 (3.58517e-09% change) large trace change predicted (1.11045e-08%) linmin: converged after 4 iterations. iteration 494: trace = 2.53222661310966 (1.11046e-08% change) linmin: converged after 9 iterations. iteration 495: trace = 2.532226612978538 (5.17814e-09% change) linmin: converged after 19 iterations. iteration 496: trace = 2.532226612818014 (6.33924e-09% change) linmin: converged after 10 iterations. iteration 497: trace = 2.532226612499707 (1.25702e-08% change) linmin: converged after 15 iterations. iteration 498: trace = 2.532226612400562 (3.91533e-09% change) large trace change predicted (7.90845e-09%) linmin: converged after 8 iterations. iteration 499: trace = 2.532226612200308 (7.90822e-09% change) linmin: converged after 4 iterations. iteration 500: trace = 2.53222661183032 (1.46112e-08% change) linmin: converged after 28 iterations. iteration 501: trace = 2.532226611735656 (3.73838e-09% change) large trace change predicted (1.68449e-08%) linmin: converged after 8 iterations. iteration 502: trace = 2.532226611309096 (1.68452e-08% change) linmin: converged after 7 iterations. iteration 503: trace = 2.532226611086553 (8.78841e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226610879799 (8.16492e-09% change) linmin: converged after 4 iterations. iteration 505: trace = 2.532226610487903 (1.54764e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.532226610342944 (5.72457e-09% change) linmin: converged after 7 iterations. iteration 507: trace = 2.532226610129535 (8.42773e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.532226609834197 (1.16631e-08% change) linmin: converged after 4 iterations. iteration 509: trace = 2.532226609773988 (2.37772e-09% change) large trace change predicted (8.23506e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.53222660956545 (8.23536e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.532226609408117 (6.21326e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.53222660933298 (2.96722e-09% change) linmin: converged after 2 iterations. iteration 513: trace = 2.532226609216779 (4.58888e-09% change) linmin: converged after 10 iterations. iteration 514: trace = 2.532226609064996 (5.99405e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.532226609028991 (1.42187e-09% change) large trace change predicted (7.63343e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226608835697 (7.63335e-09% change) linmin: converged after 5 iterations. iteration 517: trace = 2.532226608740671 (3.75267e-09% change) linmin: converged after 5 iterations. iteration 518: trace = 2.532226608638877 (4.01993e-09% change) large trace change predicted (9.54797e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608397102 (9.54792e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608167098 (9.08309e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608041733 (4.95077e-09% change) linmin: converged after 5 iterations. iteration 522: trace = 2.53222660792103 (4.76667e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226607757263 (6.4673e-09% change) linmin: converged after 5 iterations. iteration 524: trace = 2.53222660773012 (1.07191e-09% change) large trace change predicted (5.23063e-09%) linmin: converged after 13 iterations. iteration 525: trace = 2.532226607597675 (5.23038e-09% change) linmin: converged after 4 iterations. iteration 526: trace = 2.532226607534311 (2.50229e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.532226607480542 (2.12341e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607400952 (3.14309e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607343637 (2.26341e-09% change) linmin: converged after 3 iterations. iteration 530: trace = 2.532226607300956 (1.68553e-09% change) linmin: converged after 15 iterations. iteration 531: trace = 2.532226607228981 (2.84237e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.532226607211765 (6.79841e-10% change) large trace change predicted (3.69043e-09%) linmin: converged after 15 iterations. iteration 533: trace = 2.532226607118313 (3.69054e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607036424 (3.23386e-09% change) linmin: converged after 4 iterations. iteration 535: trace = 2.532226606999509 (1.45782e-09% change) large trace change predicted (5.07904e-09%) linmin: converged after 2 iterations. iteration 536: trace = 2.532226606870895 (5.07905e-09% change) linmin: converged after 8 iterations. iteration 537: trace = 2.532226606759332 (4.40575e-09% change) linmin: converged after 9 iterations. iteration 538: trace = 2.532226606732932 (1.04257e-09% change) large trace change predicted (3.51654e-09%) linmin: converged after 24 iterations. iteration 539: trace = 2.53222660664388 (3.51674e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226606579878 (2.5275e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606566752 (5.18356e-10% change) large trace change predicted (1.66753e-09%) linmin: converged after 4 iterations. iteration 542: trace = 2.532226606524528 (1.66743e-09% change) linmin: converged after 24 iterations. iteration 543: trace = 2.532226606503792 (8.18914e-10% change) linmin: converged after 9 iterations. iteration 544: trace = 2.53222660648796 (6.25194e-10% change) large trace change predicted (1.9985e-09%) linmin: converged after 17 iterations. iteration 545: trace = 2.53222660643734 (1.99906e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.532226606428637 (3.43682e-10% change) large trace change predicted (1.91697e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606380086 (1.9173e-09% change) linmin: converged after 4 iterations. iteration 548: trace = 2.532226606316409 (2.51468e-09% change) linmin: converged after 22 iterations. iteration 549: trace = 2.532226606270019 (1.83198e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606238847 (1.23101e-09% change) large trace change predicted (3.38359e-09%) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606153159 (3.38388e-09% change) linmin: converged after 21 iterations. iteration 552: trace = 2.532226606112784 (1.59444e-09% change) linmin: converged after 8 iterations. iteration 553: trace = 2.532226606078401 (1.35782e-09% change) linmin: converged after 17 iterations. iteration 554: trace = 2.532226606014963 (2.50523e-09% change) linmin: converged after 5 iterations. iteration 555: trace = 2.532226605994184 (8.2058e-10% change) linmin: converged after 22 iterations. iteration 556: trace = 2.532226605957052 (1.46638e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.532226605918465 (1.52383e-09% change) linmin: converged after 18 iterations. iteration 558: trace = 2.532226605910012 (3.33809e-10% change) large trace change predicted (1.30843e-09%) linmin: converged after 2 iterations. iteration 559: trace = 2.532226605876871 (1.30879e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.532226605863193 (5.40155e-10% change) linmin: converged after 4 iterations. iteration 561: trace = 2.53222660585212 (4.3728e-10% change) large trace change predicted (1.02576e-09%) linmin: converged after 4 iterations. iteration 562: trace = 2.532226605826152 (1.02551e-09% change) linmin: converged after 14 iterations. iteration 563: trace = 2.532226605814464 (4.61587e-10% change) large trace change predicted (9.7626e-10%) linmin: converged after 10 iterations. iteration 564: trace = 2.53222660578974 (9.76365e-10% change) linmin: converged after 5 iterations. iteration 565: trace = 2.532226605744299 (1.79451e-09% change) linmin: converged after 11 iterations. iteration 566: trace = 2.532226605734294 (3.95102e-10% change) large trace change predicted (2.04494e-09%) linmin: converged after 2 iterations. iteration 567: trace = 2.53222660568251 (2.04501e-09% change) linmin: converged after 12 iterations. iteration 568: trace = 2.532226605633589 (1.93193e-09% change) linmin: converged after 15 iterations. iteration 569: trace = 2.532226605613713 (7.84926e-10% change) large trace change predicted (1.75747e-09%) linmin: converged after 9 iterations. iteration 570: trace = 2.532226605569216 (1.7572e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605542166 (1.06824e-09% change) linmin: converged after 18 iterations. iteration 572: trace = 2.532226605527237 (5.89541e-10% change) large trace change predicted (1.24834e-09%) linmin: converged after 8 iterations. iteration 573: trace = 2.532226605495628 (1.2483e-09% change) linmin: converged after 4 iterations. iteration 574: trace = 2.532226605490959 (1.84372e-10% change) large trace change predicted (1.04917e-09%) linmin: converged after 5 iterations. iteration 575: trace = 2.532226605464379 (1.04965e-09% change) linmin: converged after 9 iterations. iteration 576: trace = 2.532226605451706 (5.00485e-10% change) linmin: converged after 15 iterations. iteration 577: trace = 2.532226605442634 (3.58238e-10% change) large trace change predicted (8.04118e-10%) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605422269 (8.04235e-10% change) linmin: converged after 16 iterations. iteration 579: trace = 2.532226605397448 (9.80223e-10% change) linmin: converged after 14 iterations. iteration 580: trace = 2.532226605389615 (3.09344e-10% change) large trace change predicted (1.03181e-09%) linmin: converged after 5 iterations. iteration 581: trace = 2.532226605363478 (1.03215e-09% change) linmin: converged after 19 iterations. iteration 582: trace = 2.532226605339899 (9.31171e-10% change) linmin: converged after 9 iterations. iteration 583: trace = 2.532226605322448 (6.89154e-10% change) large trace change predicted (1.48305e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.532226605284889 (1.48322e-09% change) linmin: converged after 9 iterations. iteration 585: trace = 2.532226605252411 (1.2826e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.53222660523769 (5.81351e-10% change) large trace change predicted (1.69467e-09%) linmin: converged after 10 iterations. iteration 587: trace = 2.532226605194783 (1.69442e-09% change) linmin: converged after 3 iterations. iteration 588: trace = 2.532226605169754 (9.88449e-10% change) linmin: converged after 9 iterations. iteration 589: trace = 2.53222660516193 (3.08941e-10% change) large trace change predicted (8.09546e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.532226605141435 (8.09391e-10% change) linmin: converged after 4 iterations. iteration 591: trace = 2.532226605122277 (7.56568e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.532226605113052 (3.64289e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.532226605096785 (6.42399e-10% change) linmin: converged after 11 iterations. iteration 594: trace = 2.532226605071255 (1.00823e-09% change) linmin: converged after 15 iterations. iteration 595: trace = 2.532226605065208 (2.38773e-10% change) large trace change predicted (1.11555e-09%) linmin: converged after 4 iterations. iteration 596: trace = 2.532226605036951 (1.11591e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605011912 (9.88799e-10% change) linmin: converged after 4 iterations. iteration 598: trace = 2.532226604999558 (4.87893e-10% change) large trace change predicted (1.53438e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.532226604960699 (1.53457e-09% change) linmin: converged after 6 iterations. iteration 600: trace = 2.532226604943441 (6.81542e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.532226604920721 (8.97218e-10% change) linmin: converged after 2 iterations. iteration 602: trace = 2.5322266048963 (9.64405e-10% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226604890242 (2.39229e-10% change) large trace change predicted (1.21565e-09%) linmin: converged after 8 iterations. iteration 604: trace = 2.532226604859475 (1.21502e-09% change) linmin: converged after 4 iterations. iteration 605: trace = 2.532226604847395 (4.77055e-10% change) linmin: converged after 15 iterations. iteration 606: trace = 2.532226604835143 (4.83842e-10% change) linmin: converged after 7 iterations. iteration 607: trace = 2.532226604817381 (7.01465e-10% change) linmin: converged after 15 iterations. iteration 608: trace = 2.532226604797039 (8.03323e-10% change) linmin: converged after 3 iterations. iteration 609: trace = 2.532226604793828 (1.26796e-10% change) large trace change predicted (5.90518e-10%) linmin: converged after 8 iterations. iteration 610: trace = 2.532226604778882 (5.90225e-10% change) linmin: converged after 12 iterations. iteration 611: trace = 2.532226604768759 (3.99785e-10% change) linmin: converged after 2 iterations. iteration 612: trace = 2.532226604763534 (2.06346e-10% change) large trace change predicted (6.45542e-10%) linmin: converged after 4 iterations. iteration 613: trace = 2.532226604747184 (6.45678e-10% change) linmin: converged after 15 iterations. iteration 614: trace = 2.532226604715724 (1.24236e-09% change) linmin: converged after 11 iterations. iteration 615: trace = 2.532226604710788 (1.94947e-10% change) large trace change predicted (1.09362e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604683095 (1.0936e-09% change) linmin: converged after 25 iterations. iteration 617: trace = 2.532226604661638 (8.47377e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604657047 (1.81285e-10% change) large trace change predicted (6.95973e-10%) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604639426 (6.95888e-10% change) linmin: converged after 17 iterations. iteration 620: trace = 2.532226604627763 (4.60552e-10% change) linmin: converged after 9 iterations. iteration 621: trace = 2.532226604623508 (1.68062e-10% change) large trace change predicted (5.33152e-10%) linmin: converged after 6 iterations. iteration 622: trace = 2.532226604609999 (5.33473e-10% change) linmin: converged after 6 iterations. iteration 623: trace = 2.532226604598838 (4.40752e-10% change) linmin: converged after 9 iterations. iteration 624: trace = 2.532226604596985 (7.32015e-11% change) Finished solving for bands 1 to 10 after 624 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: 4.721982955932617 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.553205790621448 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.488913238697005 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199254755904 (0.957345% change) linmin: converged after 8 iterations. iteration 4: trace = 2.460842870020524 (0.176872% change) large trace change predicted (0.41962%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658433528779 (0.414718% change) linmin: converged after 4 iterations. iteration 6: trace = 2.44793737247712 (0.111096% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239313495162 (0.110278% change) linmin: converged after 3 iterations. iteration 8: trace = 2.442317503762355 (0.119561% change) linmin: converged after 4 iterations. iteration 9: trace = 2.441409215710333 (0.0371965% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907628170731 (0.0615239% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940340313637 (0.0206679% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989968456584 (0.0169496% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435761904823 (0.0227254% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281771534775 (0.00631533% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911257135296 (0.0151969% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756492356261 (0.00634845% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475053090656 (0.0115457% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033013528584 (0.0181368% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850970476376 (0.00747014% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522596811718 (0.0134762% change) linmin: converged after 4 iterations. iteration 21: trace = 2.436395585286843 (0.00521296% change) large trace change predicted (0.0178791%) linmin: converged after 4 iterations. iteration 22: trace = 2.43595471994275 (0.0180966% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746502242666 (0.00854805% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488727702074 (0.0105835% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193433965148 (0.0121254% change) linmin: converged after 7 iterations. iteration 26: trace = 2.435111803466801 (0.00335217% change) large trace change predicted (0.0170019%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694804084818 (0.0171259% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620961955467 (0.00303296% change) large trace change predicted (0.0100121%) linmin: converged after 3 iterations. iteration 29: trace = 2.43437688615835 (0.0100257% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193209974826 (0.00754539% change) linmin: converged after 3 iterations. iteration 31: trace = 2.43408129616119 (0.00459768% change) linmin: converged after 7 iterations. iteration 32: trace = 2.43391401671721 (0.00687262% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862481255047 (0.00211741% change) large trace change predicted (0.00703863%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691129389797 (0.00704057% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624304194898 (0.00274587% change) large trace change predicted (0.00707824%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451857381121 (0.00708626% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377299996253 (0.0030639% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271894258777 (0.00433176% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178234182453 (0.00384922% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135864364515 (0.00174135% change) large trace change predicted (0.00592597%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991500184515 (0.00593343% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956063817808 (0.0014565% change) large trace change predicted (0.0070595%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783990955872 (0.00707283% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719839586028 (0.00263699% change) large trace change predicted (0.00567853%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580667128755 (0.00572102% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479336362056 (0.00416565% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285019119929 (0.00798876% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170765713327 (0.00469748% change) linmin: converged after 3 iterations. iteration 49: trace = 2.43205259750985 (0.00485867% change) linmin: converged after 3 iterations. iteration 50: trace = 2.431877499914179 (0.00719984% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795698368098 (0.00336378% change) linmin: converged after 5 iterations. iteration 52: trace = 2.431696362779601 (0.00408495% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636735215938 (0.00245213% change) large trace change predicted (0.00592308%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492380695374 (0.00593669% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457137418089 (0.00144946% change) large trace change predicted (0.00664172%) linmin: converged after 5 iterations. iteration 56: trace = 2.431295722204049 (0.00663884% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257057177065 (0.00159032% change) large trace change predicted (0.00464771%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144068753099 (0.00464743% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090029143752 (0.00222283% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016690053393 (0.00301676% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957035925643 (0.00245391% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908601939359 (0.0019924% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849617811282 (0.00242645% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813232221527 (0.00149684% change) linmin: converged after 4 iterations. iteration 65: trace = 2.430743311495022 (0.00287647% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720436219301 (0.000941086% change) large trace change predicted (0.00257259%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657818551803 (0.00257613% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628246220045 (0.00121665% change) large trace change predicted (0.00251853%) linmin: converged after 3 iterations. iteration 69: trace = 2.43056702477033 (0.00251878% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539098081382 (0.00114898% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504606749671 (0.00141909% change) linmin: converged after 5 iterations. iteration 72: trace = 2.430479149459877 (0.00104741% change) linmin: converged after 16 iterations. iteration 73: trace = 2.430467696999023 (0.000471203% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449159324092 (0.000762723% change) linmin: converged after 4 iterations. iteration 75: trace = 2.430430808529334 (0.00075504% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421391604532 (0.00038746% change) large trace change predicted (0.000998066%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397160154567 (0.000997011% change) linmin: converged after 4 iterations. iteration 78: trace = 2.430362041417878 (0.00144499% change) linmin: converged after 5 iterations. iteration 79: trace = 2.430349773461511 (0.00050478% change) large trace change predicted (0.00196753%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301915585337 (0.0019692% change) linmin: converged after 3 iterations. iteration 81: trace = 2.430250372503576 (0.00212087% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430232623395246 (0.000730343% change) large trace change predicted (0.0037629%) linmin: converged after 4 iterations. iteration 83: trace = 2.4301412371588 (0.00376046% change) linmin: converged after 3 iterations. iteration 84: trace = 2.43010514343224 (0.00148526% change) linmin: converged after 4 iterations. iteration 85: trace = 2.430052021784968 (0.00218601% change) linmin: converged after 3 iterations. iteration 86: trace = 2.430006083395427 (0.00189045% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964346006139 (0.0017176% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930826247921 (0.00137944% change) linmin: converged after 11 iterations. iteration 89: trace = 2.429891868073963 (0.00160328% change) linmin: converged after 4 iterations. iteration 90: trace = 2.429864867882209 (0.00111117% change) linmin: converged after 5 iterations. iteration 91: trace = 2.42984402391576 (0.000857828% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825103839935 (0.000778657% change) linmin: converged after 4 iterations. iteration 93: trace = 2.429820292443241 (0.000198014% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811482297379 (0.000362585% change) linmin: converged after 14 iterations. iteration 95: trace = 2.429799286673712 (0.000501918% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796371916487 (0.000119959% change) large trace change predicted (0.000516904%) linmin: converged after 3 iterations. iteration 97: trace = 2.429783813738664 (0.000516842% change) linmin: converged after 3 iterations. iteration 98: trace = 2.429779151397187 (0.000191883% change) large trace change predicted (0.000403624%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769350189761 (0.000403379% change) linmin: converged after 4 iterations. iteration 100: trace = 2.429751340478064 (0.000741213% change) linmin: converged after 5 iterations. iteration 101: trace = 2.429742382082464 (0.000368697% change) large trace change predicted (0.00142086%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707985013141 (0.00141568% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664848526827 (0.00177539% change) linmin: converged after 5 iterations. iteration 104: trace = 2.429647100743156 (0.000730465% change) large trace change predicted (0.00236241%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590054218317 (0.00234796% change) linmin: converged after 4 iterations. iteration 106: trace = 2.429562480259027 (0.00113493% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535154296641 (0.00112473% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519732903807 (0.000634749% change) linmin: converged after 4 iterations. iteration 109: trace = 2.42951219614592 (0.000310216% change) linmin: converged after 5 iterations. iteration 110: trace = 2.429498081352979 (0.000580974% change) linmin: converged after 10 iterations. iteration 111: trace = 2.429487760929294 (0.000424797% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483243074665 (0.000185959% change) large trace change predicted (0.000475034%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471695092463 (0.000475328% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465138123002 (0.000269893% change) linmin: converged after 4 iterations. iteration 115: trace = 2.42945938055594 (0.000236989% change) large trace change predicted (0.000647843%) linmin: converged after 4 iterations. iteration 116: trace = 2.42944361413424 (0.00064897% change) linmin: converged after 14 iterations. iteration 117: trace = 2.429438400041199 (0.000214621% change) large trace change predicted (0.000450964%) linmin: converged after 3 iterations. iteration 118: trace = 2.429427430525862 (0.000451526% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413713505623 (0.000564621% change) linmin: converged after 3 iterations. iteration 120: trace = 2.4294083390858 (0.000221223% change) large trace change predicted (0.000901689%) linmin: converged after 4 iterations. iteration 121: trace = 2.429386329284622 (0.000905978% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375863255854 (0.00043081% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364826988096 (0.000454285% change) large trace change predicted (0.00110555%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337840515783 (0.00111085% change) linmin: converged after 4 iterations. iteration 125: trace = 2.42933410208479 (0.000153887% change) large trace change predicted (0.00052566%) linmin: converged after 5 iterations. iteration 126: trace = 2.429321314845719 (0.000526369% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312599559619 (0.000358755% change) linmin: converged after 5 iterations. iteration 128: trace = 2.429307021087118 (0.000229632% change) linmin: converged after 5 iterations. iteration 129: trace = 2.42929958575789 (0.000306068% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296539788722 (0.000125385% change) linmin: converged after 4 iterations. iteration 131: trace = 2.429294305400699 (9.19768e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.429292122600523 (8.98533e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.429291314686784 (3.32572e-05% change) large trace change predicted (0.000157942%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287476323366 (0.000158004% change) linmin: converged after 3 iterations. iteration 135: trace = 2.42928576979761 (7.0248e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429284010270354 (7.24298e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.429281362485154 (0.000108995% change) linmin: converged after 4 iterations. iteration 138: trace = 2.42927809653981 (0.000134441% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275607822539 (0.000102447% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274093062705 (6.23544e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.429272890958271 (4.94841e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271249541947 (6.75682e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270207995202 (4.28749e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268640513438 (6.45248e-05% change) linmin: converged after 10 iterations. iteration 145: trace = 2.429267029976984 (6.62972e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.42926645766938 (2.35589e-05% change) large trace change predicted (8.02167e-05%) linmin: converged after 5 iterations. iteration 147: trace = 2.429264509693013 (8.01879e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263383610925 (4.63549e-05% change) linmin: converged after 14 iterations. iteration 149: trace = 2.429261898029446 (6.11536e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259843228488 (8.45854e-05% change) linmin: converged after 9 iterations. iteration 151: trace = 2.429257075160755 (0.000113947% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255780909553 (5.32777e-05% change) large trace change predicted (0.000132524%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252563104281 (0.000132461% change) linmin: converged after 3 iterations. iteration 154: trace = 2.42925184933551 (2.93822e-05% change) large trace change predicted (0.000122656%) linmin: converged after 4 iterations. iteration 155: trace = 2.429248872589175 (0.000122538% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246901065232 (8.11578e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245882956419 (4.19105e-05% change) large trace change predicted (0.000117697%) linmin: converged after 5 iterations. iteration 158: trace = 2.429243024087283 (0.000117686% change) linmin: converged after 13 iterations. iteration 159: trace = 2.42924113639769 (7.77069e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240366777501 (3.16815e-05% change) large trace change predicted (9.46388e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.429238068403595 (9.46129e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429236539509766 (6.29372e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.429234987727312 (6.38795e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.429234256920607 (3.00838e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233883868129 (1.53568e-05% change) large trace change predicted (3.28506e-05%) linmin: converged after 4 iterations. iteration 166: trace = 2.429233085995593 (3.28446e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232295160021 (3.2555e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232102888984 (7.91489e-06% change) large trace change predicted (2.13645e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231583890314 (2.13647e-05% change) large trace change predicted (4.62072e-05%) linmin: converged after 4 iterations. iteration 170: trace = 2.429230460568542 (4.62419e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.429230047862521 (1.69892e-05% change) large trace change predicted (4.99371e-05%) linmin: converged after 5 iterations. iteration 172: trace = 2.429228834067868 (4.99662e-05% change) linmin: converged after 5 iterations. iteration 173: trace = 2.429226577625988 (9.28872e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225448690378 (4.64731e-05% change) large trace change predicted (0.00015282%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221725356604 (0.000153273% change) linmin: converged after 3 iterations. iteration 176: trace = 2.429220661944724 (4.37758e-05% change) large trace change predicted (0.000105601%) linmin: converged after 5 iterations. iteration 177: trace = 2.429218091704528 (0.000105805% change) linmin: converged after 4 iterations. iteration 178: trace = 2.429216795668937 (5.3352e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216318331167 (1.96499e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215476912975 (3.46374e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214875314416 (2.47651e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214663414664 (8.72297e-06% change) large trace change predicted (1.81869e-05%) linmin: converged after 4 iterations. iteration 183: trace = 2.429214221565788 (1.8189e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213984677035 (9.75166e-06% change) large trace change predicted (2.09936e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.429213474680934 (2.09943e-05% change) large trace change predicted (4.56717e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212365153615 (4.56744e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429212026400968 (1.3945e-05% change) large trace change predicted (3.94202e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.429211068770147 (3.94215e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.429209642033 (5.87325e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429209301935933 (1.40003e-05% change) large trace change predicted (9.25361e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.429207054553685 (9.2515e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.42920549670188 (6.41301e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.429204819776946 (2.78661e-05% change) large trace change predicted (8.18913e-05%) linmin: converged after 4 iterations. iteration 194: trace = 2.429202831236179 (8.18598e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201138362308 (6.96885e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200323012721 (3.35645e-05% change) large trace change predicted (8.31709e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198303567092 (8.31322e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196805629418 (6.16639e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.429196182943441 (2.56334e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.429195215532692 (3.98243e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.429194990200281 (9.27601e-06% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194618319072 (1.53088e-05% change) linmin: converged after 4 iterations. iteration 203: trace = 2.429193914553782 (2.89711e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193731764764 (7.52468e-06% change) large trace change predicted (2.08477e-05%) linmin: converged after 3 iterations. iteration 205: trace = 2.429193225342077 (2.08474e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.429192572523023 (2.68739e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.429192202283736 (1.52413e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.429191604892141 (2.45922e-05% change) large trace change predicted (7.48501e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.429189786723055 (7.48467e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.429189035226658 (3.09361e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429188353489596 (2.80644e-05% change) linmin: converged after 4 iterations. iteration 212: trace = 2.429188058780088 (1.2132e-05% change) linmin: converged after 10 iterations. iteration 213: trace = 2.429187704674257 (1.45771e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.429187256393432 (1.84539e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429187110358006 (6.0117e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.429186832885372 (1.14224e-05% change) large trace change predicted (2.48735e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429186228697037 (2.4872e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429186061814468 (6.8699e-06% change) large trace change predicted (2.04016e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429185566158758 (2.04042e-05% change) linmin: converged after 2 iterations. iteration 220: trace = 2.429185198851079 (1.51206e-05% change) linmin: converged after 11 iterations. iteration 221: trace = 2.429184968496556 (9.48279e-06% change) large trace change predicted (2.80155e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.429184287927164 (2.80164e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.429184089879073 (8.15286e-06% change) large trace change predicted (2.34384e-05%) linmin: converged after 3 iterations. iteration 224: trace = 2.429183520565823 (2.34364e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.429182938238127 (2.39722e-05% change) linmin: converged after 2 iterations. iteration 226: trace = 2.429182756518748 (7.48068e-06% change) large trace change predicted (2.1841e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.429182226031851 (2.18381e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181596068853 (2.59331e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.429181332945769 (1.08318e-05% change) large trace change predicted (2.65155e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.429180688903546 (2.65127e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 2.429179901322561 (3.24217e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.42917968824544 (8.77157e-06% change) large trace change predicted (1.7545e-05%) linmin: converged after 3 iterations. iteration 233: trace = 2.429179262082394 (1.75435e-05% change) linmin: converged after 2 iterations. iteration 234: trace = 2.429179059783791 (8.32786e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178948125327 (4.59655e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 2.429178815387207 (5.46432e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429178685026278 (5.36646e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.4291786422822 (1.75961e-06% change) large trace change predicted (6.3228e-06%) linmin: converged after 3 iterations. iteration 239: trace = 2.429178488726127 (6.32132e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.429178226328228 (1.08019e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429178098467372 (5.26354e-06% change) linmin: converged after 5 iterations. iteration 242: trace = 2.429177845535906 (1.04122e-05% change) linmin: converged after 4 iterations. iteration 243: trace = 2.429177340626667 (2.07852e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429177176341105 (6.76301e-06% change) large trace change predicted (2.77559e-05%) linmin: converged after 5 iterations. iteration 245: trace = 2.429176502846627 (2.77252e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.429176238380631 (1.08871e-05% change) linmin: converged after 6 iterations. iteration 247: trace = 2.429175986076123 (1.03864e-05% change) linmin: converged after 7 iterations. iteration 248: trace = 2.429175577840264 (1.68055e-05% change) linmin: converged after 13 iterations. iteration 249: trace = 2.429175408961133 (6.95212e-06% change) large trace change predicted (1.3957e-05%) linmin: converged after 7 iterations. iteration 250: trace = 2.429175069993494 (1.3954e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 2.429174761872467 (1.26842e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.42917466887513 (3.82835e-06% change) large trace change predicted (1.30762e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.429174351289464 (1.30738e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.429174170497995 (7.44251e-06% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429174050528544 (4.93869e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173939539032 (4.56902e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.429173810486296 (5.31262e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.429173757768106 (2.17021e-06% change) large trace change predicted (7.01507e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429173587357009 (7.01519e-06% change) linmin: converged after 36 iterations. iteration 260: trace = 2.429173545915708 (1.70598e-06% change) large trace change predicted (1.32787e-05%) linmin: converged after 5 iterations. iteration 261: trace = 2.429173223315636 (1.32802e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.429172942481005 (1.15609e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172792162812 (6.18804e-06% change) large trace change predicted (2.2294e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.429172250254731 (2.23083e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171719172465 (2.18627e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429171518377716 (8.26598e-06% change) large trace change predicted (2.88089e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.429170817972117 (2.88331e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.42917067117088 (6.04327e-06% change) large trace change predicted (1.21646e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.429170375548563 (1.21697e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.429170141903263 (9.61832e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429170003374988 (5.7027e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169922373948 (3.33452e-06% change) large trace change predicted (9.25322e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169697564546 (9.25458e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.429169652963815 (1.83605e-06% change) large trace change predicted (9.25293e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169428190389 (9.2531e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429169269843783 (6.51855e-06% change) linmin: converged after 3 iterations. iteration 277: trace = 2.429169210874933 (2.42753e-06% change) large trace change predicted (7.91894e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429169018513845 (7.9188e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.429168919573291 (4.07302e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.429168871317946 (1.9865e-06% change) large trace change predicted (6.03567e-06%) linmin: converged after 4 iterations. iteration 281: trace = 2.429168724707311 (6.03542e-06% change) linmin: converged after 4 iterations. iteration 282: trace = 2.429168675783422 (2.01402e-06% change) large trace change predicted (4.60575e-06%) linmin: converged after 3 iterations. iteration 283: trace = 2.42916856390598 (4.60559e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.429168397455134 (6.85217e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.429168351774628 (1.8805e-06% change) large trace change predicted (3.89849e-06%) linmin: converged after 4 iterations. iteration 286: trace = 2.429168257067436 (3.89875e-06% change) linmin: converged after 3 iterations. iteration 287: trace = 2.42916808912151 (6.91372e-06% change) linmin: converged after 29 iterations. iteration 288: trace = 2.429168054476065 (1.42623e-06% change) large trace change predicted (7.91204e-06%) linmin: converged after 7 iterations. iteration 289: trace = 2.429167862358921 (7.90876e-06% change) linmin: converged after 10 iterations. iteration 290: trace = 2.429167719322011 (5.88831e-06% change) linmin: converged after 4 iterations. iteration 291: trace = 2.429167544468004 (7.1981e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.42916731615927 (9.39864e-06% change) linmin: converged after 4 iterations. iteration 293: trace = 2.42916720194087 (4.70196e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.429167017783616 (7.58109e-06% change) linmin: converged after 4 iterations. iteration 295: trace = 2.429166747503431 (1.11265e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.42916668283277 (2.66226e-06% change) large trace change predicted (6.80606e-06%) linmin: converged after 4 iterations. iteration 297: trace = 2.429166517536004 (6.80467e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.429166300607401 (8.93017e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.429166261200211 (1.62225e-06% change) large trace change predicted (4.19602e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.429166159264932 (4.19631e-06% change) linmin: converged after 5 iterations. iteration 301: trace = 2.42916607812563 (3.34021e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.42916604924301 (1.18899e-06% change) large trace change predicted (4.50338e-06%) linmin: converged after 5 iterations. iteration 303: trace = 2.42916593984982 (4.50332e-06% change) linmin: converged after 3 iterations. iteration 304: trace = 2.429165910075201 (1.22571e-06% change) large trace change predicted (2.50423e-06%) linmin: converged after 8 iterations. iteration 305: trace = 2.42916584924665 (2.50409e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.42916580294676 (1.906e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.42916572913721 (3.03847e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.429165710655394 (7.6083e-07% change) large trace change predicted (3.34149e-06%) linmin: converged after 4 iterations. iteration 309: trace = 2.429165629472555 (3.34201e-06% change) linmin: converged after 4 iterations. iteration 310: trace = 2.429165484534654 (5.96657e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165448799646 (1.47108e-06% change) large trace change predicted (7.07575e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165276853678 (7.0784e-06% change) linmin: converged after 25 iterations. iteration 313: trace = 2.429165180315826 (3.97412e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.429165104352876 (3.12712e-06% change) linmin: converged after 7 iterations. iteration 315: trace = 2.429164991533192 (4.64438e-06% change) linmin: converged after 6 iterations. iteration 316: trace = 2.42916486536403 (5.19393e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164796374211 (2.84006e-06% change) large trace change predicted (6.44745e-06%) linmin: converged after 4 iterations. iteration 318: trace = 2.429164639704397 (6.44953e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164606546153 (1.36501e-06% change) large trace change predicted (3.25242e-06%) linmin: converged after 4 iterations. iteration 320: trace = 2.429164527531566 (3.25275e-06% change) linmin: converged after 5 iterations. iteration 321: trace = 2.429164438660931 (3.65849e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.429164419398778 (7.92954e-07% change) large trace change predicted (2.3526e-06%) linmin: converged after 4 iterations. iteration 323: trace = 2.429164362247049 (2.35273e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.429164306062881 (2.3129e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164293306547 (5.25133e-07% change) large trace change predicted (2.2169e-06%) linmin: converged after 2 iterations. iteration 326: trace = 2.4291642394545 (2.2169e-06% change) linmin: converged after 7 iterations. iteration 327: trace = 2.429164221111337 (7.55122e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.429164193894918 (1.1204e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.429164149591694 (1.82381e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429164063698702 (3.53591e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.429164024759665 (1.60298e-06% change) large trace change predicted (5.53348e-06%) linmin: converged after 2 iterations. iteration 332: trace = 2.429163890342143 (5.53349e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163765920217 (5.12201e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.429163655993809 (4.52528e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163482734742 (7.13246e-06% change) linmin: converged after 2 iterations. iteration 336: trace = 2.429163405761019 (3.16873e-06% change) linmin: converged after 15 iterations. iteration 337: trace = 2.429163327456446 (3.22352e-06% change) linmin: converged after 6 iterations. iteration 338: trace = 2.429163226055506 (4.17432e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163204380151 (8.92297e-07% change) large trace change predicted (3.49725e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.429163119431029 (3.49705e-06% change) linmin: converged after 20 iterations. iteration 341: trace = 2.429163077721464 (1.71703e-06% change) linmin: converged after 22 iterations. iteration 342: trace = 2.429163045872508 (1.31111e-06% change) linmin: converged after 5 iterations. iteration 343: trace = 2.429162992538449 (2.19557e-06% change) linmin: converged after 6 iterations. iteration 344: trace = 2.429162965495263 (1.11327e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.429162913274279 (2.14975e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.429162863235207 (2.05993e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.4291628456336 (7.24596e-07% change) large trace change predicted (1.77847e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.429162802430328 (1.77853e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.429162739935152 (2.5727e-06% change) resetting CG direction... linmin: converged after 7 iterations. iteration 350: trace = 2.42916270053176 (1.6221e-06% change) linmin: converged after 9 iterations. iteration 351: trace = 2.429162686618872 (5.72744e-07% change) large trace change predicted (1.60545e-06%) linmin: converged after 11 iterations. iteration 352: trace = 2.429162647620967 (1.60541e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.429162612939828 (1.4277e-06% change) linmin: converged after 17 iterations. iteration 354: trace = 2.429162598742549 (5.84452e-07% change) large trace change predicted (2.42484e-06%) linmin: converged after 3 iterations. iteration 355: trace = 2.4291625398385 (2.42487e-06% change) linmin: converged after 10 iterations. iteration 356: trace = 2.4291625158628 (9.86994e-07% change) large trace change predicted (1.99257e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.429162467451931 (1.9929e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.429162425156038 (1.74117e-06% change) linmin: converged after 8 iterations. iteration 359: trace = 2.42916241150935 (5.61786e-07% change) large trace change predicted (2.05754e-06%) linmin: converged after 2 iterations. iteration 360: trace = 2.429162361526912 (2.0576e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162305005736 (2.32678e-06% change) linmin: converged after 21 iterations. iteration 362: trace = 2.429162289033123 (6.57536e-07% change) large trace change predicted (2.59992e-06%) linmin: converged after 2 iterations. iteration 363: trace = 2.429162225874592 (2.60001e-06% change) linmin: converged after 8 iterations. iteration 364: trace = 2.42916215213349 (3.03566e-06% change) linmin: converged after 6 iterations. iteration 365: trace = 2.429162114735383 (1.53955e-06% change) large trace change predicted (4.12664e-06%) linmin: converged after 5 iterations. iteration 366: trace = 2.429162014485762 (4.12692e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161937969076 (3.14992e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.429161921258092 (6.87932e-07% change) large trace change predicted (2.36695e-06%) linmin: converged after 3 iterations. iteration 369: trace = 2.429161863759391 (2.36702e-06% change) linmin: converged after 11 iterations. iteration 370: trace = 2.429161849976834 (5.67379e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161834118966 (6.52812e-07% change) linmin: converged after 21 iterations. iteration 372: trace = 2.429161820346843 (5.6695e-07% change) linmin: converged after 8 iterations. iteration 373: trace = 2.429161810521062 (4.04493e-07% change) linmin: converged after 9 iterations. iteration 374: trace = 2.42916179531213 (6.26098e-07% change) linmin: converged after 20 iterations. iteration 375: trace = 2.429161771423542 (9.83409e-07% change) linmin: converged after 13 iterations. iteration 376: trace = 2.429161763830456 (3.1258e-07% change) large trace change predicted (9.95475e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161739650788 (9.95391e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.429161704218765 (1.45861e-06% change) linmin: converged after 14 iterations. iteration 379: trace = 2.429161693347212 (4.47543e-07% change) large trace change predicted (1.20818e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.429161664000104 (1.20812e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.429161611934315 (2.14336e-06% change) linmin: converged after 10 iterations. iteration 382: trace = 2.429161601574118 (4.26493e-07% change) large trace change predicted (2.10697e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.429161550399598 (2.10667e-06% change) linmin: converged after 17 iterations. iteration 384: trace = 2.429161522993279 (1.12822e-06% change) linmin: converged after 10 iterations. iteration 385: trace = 2.429161500564571 (9.23311e-07% change) linmin: converged after 7 iterations. iteration 386: trace = 2.429161456703279 (1.80561e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161415467751 (1.69752e-06% change) linmin: converged after 16 iterations. iteration 388: trace = 2.429161393304343 (9.12389e-07% change) large trace change predicted (1.89859e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.429161347186578 (1.89851e-06% change) linmin: converged after 7 iterations. iteration 390: trace = 2.429161324950827 (9.15367e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.429161317015616 (3.26665e-07% change) large trace change predicted (8.59745e-07%) linmin: converged after 4 iterations. iteration 392: trace = 2.429161296131448 (8.59728e-07% change) linmin: converged after 2 iterations. iteration 393: trace = 2.429161291181173 (2.03785e-07% change) large trace change predicted (5.29641e-07%) linmin: converged after 5 iterations. iteration 394: trace = 2.429161278315192 (5.29647e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161265356961 (5.33445e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.429161261869211 (1.43578e-07% change) large trace change predicted (8.36476e-07%) linmin: converged after 2 iterations. iteration 397: trace = 2.429161241549844 (8.36477e-07% change) linmin: converged after 15 iterations. iteration 398: trace = 2.429161218388045 (9.5349e-07% change) linmin: converged after 4 iterations. iteration 399: trace = 2.429161210937119 (3.06728e-07% change) large trace change predicted (8.14179e-07%) linmin: converged after 3 iterations. iteration 400: trace = 2.429161191159865 (8.1416e-07% change) linmin: converged after 10 iterations. iteration 401: trace = 2.42916115839568 (1.34879e-06% change) linmin: converged after 10 iterations. iteration 402: trace = 2.429161140878337 (7.21127e-07% change) large trace change predicted (1.49051e-06%) linmin: converged after 20 iterations. iteration 403: trace = 2.429161104667986 (1.49065e-06% change) linmin: converged after 11 iterations. iteration 404: trace = 2.429161083170334 (8.84983e-07% change) linmin: converged after 3 iterations. iteration 405: trace = 2.429161048270787 (1.43669e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.42916099920414 (2.0199e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.429160982945467 (6.69312e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.429160959714191 (9.5635e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.429160920962948 (1.59525e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.429160911946585 (3.71172e-07% change) large trace change predicted (9.33439e-07%) linmin: converged after 15 iterations. iteration 411: trace = 2.429160889269008 (9.33556e-07% change) linmin: converged after 4 iterations. iteration 412: trace = 2.429160866943898 (9.19046e-07% change) linmin: converged after 6 iterations. iteration 413: trace = 2.4291608614916 (2.24452e-07% change) large trace change predicted (5.07435e-07%) linmin: converged after 20 iterations. iteration 414: trace = 2.429160849164178 (5.07477e-07% change) linmin: converged after 7 iterations. iteration 415: trace = 2.42916083216274 (6.99889e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160826769361 (2.22026e-07% change) large trace change predicted (4.99169e-07%) linmin: converged after 23 iterations. iteration 417: trace = 2.429160814643395 (4.99183e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.429160802418464 (5.03257e-07% change) linmin: converged after 5 iterations. iteration 419: trace = 2.429160796221078 (2.55125e-07% change) resetting CG direction... linmin: converged after 17 iterations. iteration 420: trace = 2.429160790346842 (2.41822e-07% change) linmin: converged after 2 iterations. iteration 421: trace = 2.429160779915612 (4.29417e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.429160768544104 (4.68125e-07% change) linmin: converged after 3 iterations. iteration 423: trace = 2.42916076367561 (2.00419e-07% change) large trace change predicted (5.93356e-07%) linmin: converged after 23 iterations. iteration 424: trace = 2.429160749262659 (5.9333e-07% change) linmin: converged after 3 iterations. iteration 425: trace = 2.429160738203669 (4.5526e-07% change) linmin: converged after 16 iterations. iteration 426: trace = 2.429160734104865 (1.68733e-07% change) large trace change predicted (7.28314e-07%) linmin: converged after 4 iterations. iteration 427: trace = 2.429160716414508 (7.2825e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.429160706502238 (4.08053e-07% change) linmin: converged after 14 iterations. iteration 429: trace = 2.429160692077318 (5.93823e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160667097955 (1.02831e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.429160655367485 (4.82902e-07% change) linmin: converged after 6 iterations. iteration 432: trace = 2.429160640748588 (6.01809e-07% change) large trace change predicted (1.2155e-06%) linmin: converged after 8 iterations. iteration 433: trace = 2.429160611227006 (1.2153e-06% change) linmin: converged after 11 iterations. iteration 434: trace = 2.429160602749563 (3.48987e-07% change) large trace change predicted (1.02435e-06%) linmin: converged after 3 iterations. iteration 435: trace = 2.429160577870109 (1.0242e-06% change) linmin: converged after 9 iterations. iteration 436: trace = 2.429160558905898 (7.8069e-07% change) linmin: converged after 9 iterations. iteration 437: trace = 2.429160552631934 (2.58277e-07% change) large trace change predicted (7.65455e-07%) linmin: converged after 8 iterations. iteration 438: trace = 2.429160534039245 (7.65396e-07% change) linmin: converged after 7 iterations. iteration 439: trace = 2.429160523677099 (4.26573e-07% change) linmin: converged after 5 iterations. iteration 440: trace = 2.42916051975533 (1.61445e-07% change) large trace change predicted (4.48006e-07%) linmin: converged after 5 iterations. iteration 441: trace = 2.429160508872857 (4.47993e-07% change) linmin: converged after 6 iterations. iteration 442: trace = 2.429160499818887 (3.7272e-07% change) linmin: converged after 20 iterations. iteration 443: trace = 2.429160497920686 (7.81423e-08% change) large trace change predicted (1.8902e-07%) linmin: converged after 3 iterations. iteration 444: trace = 2.429160493329062 (1.89021e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.429160488293158 (2.0731e-07% change) linmin: converged after 15 iterations. iteration 446: trace = 2.429160484353091 (1.62199e-07% change) large trace change predicted (3.93662e-07%) linmin: converged after 5 iterations. iteration 447: trace = 2.429160474790068 (3.93676e-07% change) linmin: converged after 11 iterations. iteration 448: trace = 2.429160471580279 (1.32136e-07% change) large trace change predicted (3.37821e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.429160463373595 (3.3784e-07% change) large trace change predicted (7.50168e-07%) linmin: converged after 4 iterations. iteration 450: trace = 2.429160445149095 (7.50239e-07% change) linmin: converged after 8 iterations. iteration 451: trace = 2.429160430415562 (6.06528e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.429160418995421 (4.70127e-07% change) linmin: converged after 7 iterations. iteration 453: trace = 2.429160408187375 (4.44929e-07% change) linmin: converged after 6 iterations. iteration 454: trace = 2.429160392174707 (6.59185e-07% change) linmin: converged after 14 iterations. iteration 455: trace = 2.429160389306145 (1.18089e-07% change) large trace change predicted (7.13829e-07%) linmin: converged after 5 iterations. iteration 456: trace = 2.429160371964514 (7.13894e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.429160366450214 (2.27004e-07% change) linmin: converged after 11 iterations. iteration 458: trace = 2.429160358240431 (3.37968e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.429160347465205 (4.43578e-07% change) linmin: converged after 4 iterations. iteration 460: trace = 2.429160344197699 (1.34512e-07% change) large trace change predicted (3.7424e-07%) linmin: converged after 5 iterations. iteration 461: trace = 2.429160335106463 (3.74254e-07% change) linmin: converged after 6 iterations. iteration 462: trace = 2.429160328738462 (2.62148e-07% change) linmin: converged after 6 iterations. iteration 463: trace = 2.429160326096865 (1.08745e-07% change) large trace change predicted (2.29086e-07%) linmin: converged after 13 iterations. iteration 464: trace = 2.42916032053192 (2.29089e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.429160316560381 (1.63494e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160314743921 (7.47773e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.429160311749455 (1.23272e-07% change) linmin: converged after 3 iterations. iteration 468: trace = 2.429160306253959 (2.2623e-07% change) linmin: converged after 4 iterations. iteration 469: trace = 2.429160304081518 (8.94318e-08% change) large trace change predicted (5.13348e-07%) linmin: converged after 5 iterations. iteration 470: trace = 2.429160291611896 (5.13331e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.429160283833624 (3.20204e-07% change) linmin: converged after 16 iterations. iteration 472: trace = 2.429160275131582 (3.58233e-07% change) linmin: converged after 16 iterations. iteration 473: trace = 2.429160259073368 (6.6106e-07% change) linmin: converged after 4 iterations. iteration 474: trace = 2.429160247142288 (4.91161e-07% change) linmin: converged after 6 iterations. iteration 475: trace = 2.429160239085526 (3.31669e-07% change) linmin: converged after 7 iterations. iteration 476: trace = 2.42916022558022 (5.55966e-07% change) linmin: converged after 8 iterations. iteration 477: trace = 2.429160222701592 (1.18503e-07% change) large trace change predicted (4.17295e-07%) linmin: converged after 5 iterations. iteration 478: trace = 2.429160212565087 (4.17284e-07% change) linmin: converged after 5 iterations. iteration 479: trace = 2.429160204034741 (3.51164e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160202211879 (7.50408e-08% change) large trace change predicted (2.07523e-07%) linmin: converged after 13 iterations. iteration 481: trace = 2.429160197170912 (2.07519e-07% change) linmin: converged after 8 iterations. iteration 482: trace = 2.429160189434346 (3.18487e-07% change) linmin: converged after 3 iterations. iteration 483: trace = 2.429160186781246 (1.09219e-07% change) linmin: converged after 10 iterations. iteration 484: trace = 2.429160182012993 (1.96292e-07% change) linmin: converged after 6 iterations. iteration 485: trace = 2.429160177176469 (1.99103e-07% change) linmin: converged after 3 iterations. iteration 486: trace = 2.429160174959482 (9.12656e-08% change) linmin: converged after 4 iterations. iteration 487: trace = 2.429160171172834 (1.55883e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.429160166507869 (1.9204e-07% change) linmin: converged after 9 iterations. iteration 489: trace = 2.429160160202792 (2.59558e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.429160155170272 (2.07171e-07% change) linmin: converged after 7 iterations. iteration 491: trace = 2.429160151571659 (1.48142e-07% change) linmin: converged after 5 iterations. iteration 492: trace = 2.429160149556282 (8.2966e-08% change) linmin: converged after 10 iterations. iteration 493: trace = 2.429160146780887 (1.14253e-07% change) linmin: converged after 2 iterations. iteration 494: trace = 2.429160142508357 (1.75885e-07% change) linmin: converged after 6 iterations. iteration 495: trace = 2.429160139973566 (1.04348e-07% change) linmin: converged after 7 iterations. iteration 496: trace = 2.429160135710989 (1.75475e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.429160129290891 (2.64293e-07% change) linmin: converged after 21 iterations. iteration 498: trace = 2.429160127146059 (8.82952e-08% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160123941492 (1.31921e-07% change) linmin: converged after 15 iterations. iteration 500: trace = 2.429160119289382 (1.91511e-07% change) linmin: converged after 10 iterations. iteration 501: trace = 2.429160117349411 (7.98618e-08% change) large trace change predicted (2.72437e-07%) linmin: converged after 15 iterations. iteration 502: trace = 2.429160110731423 (2.72439e-07% change) linmin: converged after 18 iterations. iteration 503: trace = 2.429160106797444 (1.61948e-07% change) linmin: converged after 14 iterations. iteration 504: trace = 2.429160100888619 (2.43246e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.429160090558906 (4.25238e-07% change) linmin: converged after 2 iterations. iteration 506: trace = 2.429160086442407 (1.69462e-07% change) linmin: converged after 14 iterations. iteration 507: trace = 2.429160080154664 (2.58844e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.429160072676628 (3.07845e-07% change) linmin: converged after 14 iterations. iteration 509: trace = 2.429160069911462 (1.13832e-07% change) linmin: converged after 13 iterations. iteration 510: trace = 2.429160066042389 (1.59276e-07% change) linmin: converged after 8 iterations. iteration 511: trace = 2.429160062995054 (1.25448e-07% change) linmin: converged after 6 iterations. iteration 512: trace = 2.429160062364289 (2.59664e-08% change) large trace change predicted (6.72364e-08%) linmin: converged after 4 iterations. iteration 513: trace = 2.429160060730999 (6.72368e-08% change) linmin: converged after 9 iterations. iteration 514: trace = 2.429160059092071 (6.74689e-08% change) linmin: converged after 4 iterations. iteration 515: trace = 2.429160058640223 (1.8601e-08% change) large trace change predicted (1.37788e-07%) linmin: converged after 4 iterations. iteration 516: trace = 2.429160055293215 (1.37785e-07% change) linmin: converged after 4 iterations. iteration 517: trace = 2.429160052668501 (1.0805e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.429160051444667 (5.0381e-08% change) large trace change predicted (1.56117e-07%) linmin: converged after 21 iterations. iteration 519: trace = 2.429160047652415 (1.56114e-07% change) linmin: converged after 5 iterations. iteration 520: trace = 2.429160043638118 (1.65255e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.429160041837858 (7.41104e-08% change) linmin: converged after 5 iterations. iteration 522: trace = 2.429160038508229 (1.37069e-07% change) linmin: converged after 35 iterations. iteration 523: trace = 2.429160032321545 (2.54684e-07% change) linmin: converged after 4 iterations. iteration 524: trace = 2.429160031307016 (4.17646e-08% change) large trace change predicted (2.14345e-07%) linmin: converged after 4 iterations. iteration 525: trace = 2.429160026100677 (2.14327e-07% change) linmin: converged after 4 iterations. iteration 526: trace = 2.429160023199376 (1.19436e-07% change) linmin: converged after 5 iterations. iteration 527: trace = 2.429160019372536 (1.57538e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.42916001545453 (1.61291e-07% change) linmin: converged after 24 iterations. iteration 529: trace = 2.429160013400103 (8.45735e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.42916001041666 (1.22818e-07% change) linmin: converged after 26 iterations. iteration 531: trace = 2.4291600078618 (1.05175e-07% change) linmin: converged after 9 iterations. iteration 532: trace = 2.429160006365997 (6.15769e-08% change) linmin: converged after 6 iterations. iteration 533: trace = 2.429160005060261 (5.37526e-08% change) linmin: converged after 5 iterations. iteration 534: trace = 2.429160003164485 (7.80424e-08% change) linmin: converged after 23 iterations. iteration 535: trace = 2.42916000262062 (2.2389e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429160001707465 (3.75914e-08% change) linmin: converged after 6 iterations. iteration 537: trace = 2.42915999996646 (7.16711e-08% change) linmin: converged after 5 iterations. iteration 538: trace = 2.429159999583672 (1.5758e-08% change) large trace change predicted (1.14684e-07%) linmin: converged after 4 iterations. iteration 539: trace = 2.429159996797819 (1.14684e-07% change) linmin: converged after 42 iterations. iteration 540: trace = 2.429159994434252 (9.72998e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159992983682 (5.97149e-08% change) large trace change predicted (1.32497e-07%) linmin: converged after 4 iterations. iteration 542: trace = 2.429159989765094 (1.32498e-07% change) linmin: converged after 22 iterations. iteration 543: trace = 2.429159986006735 (1.54718e-07% change) linmin: converged after 14 iterations. iteration 544: trace = 2.429159984648221 (5.59252e-08% change) large trace change predicted (1.75215e-07%) linmin: converged after 8 iterations. iteration 545: trace = 2.429159980391693 (1.75226e-07% change) linmin: converged after 6 iterations. iteration 546: trace = 2.429159975868127 (1.86219e-07% change) linmin: converged after 6 iterations. iteration 547: trace = 2.42915997401394 (7.63304e-08% change) linmin: converged after 28 iterations. iteration 548: trace = 2.429159970899685 (1.28203e-07% change) linmin: converged after 6 iterations. iteration 549: trace = 2.429159969023587 (7.72324e-08% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159966923767 (8.64422e-08% change) linmin: converged after 22 iterations. iteration 551: trace = 2.42915996411646 (1.15567e-07% change) linmin: converged after 13 iterations. iteration 552: trace = 2.429159963256416 (3.5405e-08% change) large trace change predicted (8.8105e-08%) linmin: converged after 7 iterations. iteration 553: trace = 2.429159961116178 (8.81061e-08% change) linmin: converged after 11 iterations. iteration 554: trace = 2.429159959850148 (5.2118e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159959204245 (2.65896e-08% change) large trace change predicted (7.54184e-08%) linmin: converged after 6 iterations. iteration 556: trace = 2.429159957372193 (7.54191e-08% change) linmin: converged after 9 iterations. iteration 557: trace = 2.429159956173438 (4.93485e-08% change) linmin: converged after 4 iterations. iteration 558: trace = 2.429159955303898 (3.5796e-08% change) linmin: converged after 21 iterations. iteration 559: trace = 2.429159954282675 (4.20402e-08% change) resetting CG direction... linmin: converged after 27 iterations. iteration 560: trace = 2.4291599533282 (3.92924e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159952578358 (3.08684e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159951443056 (4.67364e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159950151545 (5.3167e-08% change) linmin: converged after 22 iterations. iteration 564: trace = 2.429159949375478 (3.1948e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159948162482 (4.99348e-08% change) linmin: converged after 4 iterations. iteration 566: trace = 2.4291599472449 (3.77736e-08% change) linmin: converged after 4 iterations. iteration 567: trace = 2.429159945643833 (6.59103e-08% change) linmin: converged after 5 iterations. iteration 568: trace = 2.429159943403913 (9.22097e-08% change) linmin: converged after 8 iterations. iteration 569: trace = 2.42915994270143 (2.89188e-08% change) large trace change predicted (8.76938e-08%) linmin: converged after 26 iterations. iteration 570: trace = 2.429159940571244 (8.76923e-08% change) linmin: converged after 4 iterations. iteration 571: trace = 2.429159938341358 (9.17966e-08% change) linmin: converged after 2 iterations. iteration 572: trace = 2.429159937434698 (3.7324e-08% change) large trace change predicted (1.16727e-07%) linmin: converged after 7 iterations. iteration 573: trace = 2.429159934599276 (1.16724e-07% change) linmin: converged after 11 iterations. iteration 574: trace = 2.429159932015457 (1.06367e-07% change) linmin: converged after 6 iterations. iteration 575: trace = 2.429159931189711 (3.39931e-08% change) large trace change predicted (8.44899e-08%) linmin: converged after 4 iterations. iteration 576: trace = 2.429159929137369 (8.44877e-08% change) linmin: converged after 9 iterations. iteration 577: trace = 2.429159927564719 (6.47405e-08% change) linmin: converged after 11 iterations. iteration 578: trace = 2.429159926618487 (3.89531e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159925434069 (4.87583e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159924270412 (4.79037e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159923930551 (1.39909e-08% change) large trace change predicted (3.59666e-08%) linmin: converged after 19 iterations. iteration 582: trace = 2.429159923056868 (3.59665e-08% change) linmin: converged after 4 iterations. iteration 583: trace = 2.429159922883604 (7.13267e-09% change) large trace change predicted (1.89981e-08%) linmin: converged after 6 iterations. iteration 584: trace = 2.429159922422107 (1.89982e-08% change) linmin: converged after 4 iterations. iteration 585: trace = 2.42915992158914 (3.42903e-08% change) linmin: converged after 38 iterations. iteration 586: trace = 2.42915992139257 (8.09211e-09% change) large trace change predicted (4.54423e-08%) linmin: converged after 15 iterations. iteration 587: trace = 2.429159920288687 (4.5443e-08% change) linmin: converged after 4 iterations. iteration 588: trace = 2.429159919525869 (3.14026e-08% change) linmin: converged after 22 iterations. iteration 589: trace = 2.429159918945448 (2.38939e-08% change) large trace change predicted (7.26257e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159917181199 (7.26279e-08% change) linmin: converged after 6 iterations. iteration 591: trace = 2.429159915582289 (6.58215e-08% change) linmin: converged after 7 iterations. iteration 592: trace = 2.429159913632309 (8.02739e-08% change) linmin: converged after 18 iterations. iteration 593: trace = 2.429159913160523 (1.94218e-08% change) large trace change predicted (7.30788e-08%) linmin: converged after 23 iterations. iteration 594: trace = 2.429159911385252 (7.30817e-08% change) linmin: converged after 8 iterations. iteration 595: trace = 2.429159910327386 (4.35486e-08% change) linmin: converged after 6 iterations. iteration 596: trace = 2.429159909261152 (4.38931e-08% change) linmin: converged after 9 iterations. iteration 597: trace = 2.429159908063157 (4.93173e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159907270598 (3.26268e-08% change) linmin: converged after 4 iterations. iteration 599: trace = 2.429159906645621 (2.57281e-08% change) linmin: converged after 19 iterations. iteration 600: trace = 2.429159905508479 (4.68121e-08% change) linmin: converged after 10 iterations. iteration 601: trace = 2.429159905267895 (9.904e-09% change) large trace change predicted (2.6928e-08%) linmin: converged after 4 iterations. iteration 602: trace = 2.429159904613762 (2.69284e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159903878265 (3.02778e-08% change) linmin: converged after 3 iterations. iteration 604: trace = 2.429159903713339 (6.78944e-09% change) large trace change predicted (2.14492e-08%) linmin: converged after 5 iterations. iteration 605: trace = 2.429159903192303 (2.14492e-08% change) linmin: converged after 19 iterations. iteration 606: trace = 2.429159902932113 (1.07111e-08% change) linmin: converged after 17 iterations. iteration 607: trace = 2.429159902765158 (6.87297e-09% change) large trace change predicted (3.11253e-08%) linmin: converged after 3 iterations. iteration 608: trace = 2.429159902009078 (3.11251e-08% change) linmin: converged after 8 iterations. iteration 609: trace = 2.429159901481877 (2.1703e-08% change) linmin: converged after 17 iterations. iteration 610: trace = 2.429159900588093 (3.67939e-08% change) linmin: converged after 4 iterations. iteration 611: trace = 2.42915989927498 (5.40563e-08% change) linmin: converged after 4 iterations. iteration 612: trace = 2.42915989861517 (2.7162e-08% change) large trace change predicted (5.86787e-08%) linmin: converged after 3 iterations. iteration 613: trace = 2.42915989718979 (5.86779e-08% change) linmin: converged after 8 iterations. iteration 614: trace = 2.429159895493415 (6.98338e-08% change) linmin: converged after 18 iterations. iteration 615: trace = 2.429159894934415 (2.30121e-08% change) large trace change predicted (5.43398e-08%) linmin: converged after 6 iterations. iteration 616: trace = 2.429159893614428 (5.43392e-08% change) linmin: converged after 11 iterations. iteration 617: trace = 2.429159892495774 (4.60511e-08% change) linmin: converged after 10 iterations. iteration 618: trace = 2.429159892304168 (7.88774e-09% change) large trace change predicted (3.69638e-08%) linmin: converged after 8 iterations. iteration 619: trace = 2.429159891406282 (3.69628e-08% change) linmin: converged after 4 iterations. iteration 620: trace = 2.429159890950887 (1.8747e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159890060528 (3.6653e-08% change) linmin: converged after 15 iterations. iteration 622: trace = 2.429159889869549 (7.86196e-09% change) large trace change predicted (2.69517e-08%) linmin: converged after 4 iterations. iteration 623: trace = 2.429159889214849 (2.69517e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.42915988888567 (1.35511e-08% change) linmin: converged after 3 iterations. iteration 625: trace = 2.429159888529328 (1.46694e-08% change) linmin: converged after 2 iterations. iteration 626: trace = 2.42915988800726 (2.14917e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159887835717 (7.0618e-09% change) large trace change predicted (1.67644e-08%) linmin: converged after 21 iterations. iteration 628: trace = 2.42915988742849 (1.67641e-08% change) large trace change predicted (1.49533e-07%) linmin: converged after 3 iterations. iteration 629: trace = 2.429159883796028 (1.49536e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.429159883038646 (3.11788e-08% change) linmin: converged after 4 iterations. iteration 631: trace = 2.429159881622925 (5.82803e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159881236958 (1.58889e-08% change) linmin: converged after 4 iterations. iteration 633: trace = 2.429159880753894 (1.98861e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159880061657 (2.8497e-08% change) linmin: converged after 7 iterations. iteration 635: trace = 2.429159879702636 (1.47796e-08% change) linmin: converged after 6 iterations. iteration 636: trace = 2.429159879341687 (1.4859e-08% change) linmin: converged after 6 iterations. iteration 637: trace = 2.429159879034207 (1.26579e-08% change) linmin: converged after 31 iterations. iteration 638: trace = 2.429159878958209 (3.12858e-09% change) large trace change predicted (1.65259e-08%) linmin: converged after 6 iterations. iteration 639: trace = 2.429159878556769 (1.65259e-08% change) linmin: converged after 3 iterations. iteration 640: trace = 2.429159878234658 (1.32602e-08% change) linmin: converged after 11 iterations. iteration 641: trace = 2.42915987803354 (8.27933e-09% change) linmin: converged after 16 iterations. iteration 642: trace = 2.429159877639404 (1.62252e-08% change) linmin: converged after 12 iterations. iteration 643: trace = 2.429159877048272 (2.43348e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159876730426 (1.30846e-08% change) large trace change predicted (2.97486e-08%) linmin: converged after 4 iterations. iteration 645: trace = 2.429159876007781 (2.97488e-08% change) linmin: converged after 27 iterations. iteration 646: trace = 2.42915987547254 (2.2034e-08% change) linmin: converged after 6 iterations. iteration 647: trace = 2.429159875129366 (1.41273e-08% change) linmin: converged after 9 iterations. iteration 648: trace = 2.429159874455769 (2.77296e-08% change) linmin: converged after 5 iterations. iteration 649: trace = 2.42915987404839 (1.67704e-08% change) linmin: converged after 2 iterations. iteration 650: trace = 2.429159873754049 (1.2117e-08% change) large trace change predicted (2.64427e-08%) linmin: converged after 2 iterations. iteration 651: trace = 2.429159873111707 (2.6443e-08% change) linmin: converged after 12 iterations. iteration 652: trace = 2.429159872945354 (6.84816e-09% change) large trace change predicted (1.63505e-08%) linmin: converged after 4 iterations. iteration 653: trace = 2.429159872548171 (1.63506e-08% change) linmin: converged after 2 iterations. iteration 654: trace = 2.429159872291909 (1.05494e-08% change) linmin: converged after 14 iterations. iteration 655: trace = 2.429159872142755 (6.14015e-09% change) linmin: converged after 4 iterations. iteration 656: trace = 2.429159872109711 (1.3603e-09% change) large trace change predicted (7.79195e-09%) linmin: converged after 4 iterations. iteration 657: trace = 2.429159871920432 (7.79196e-09% change) linmin: converged after 10 iterations. iteration 658: trace = 2.429159871785886 (5.53879e-09% change) linmin: converged after 4 iterations. iteration 659: trace = 2.429159871654988 (5.38859e-09% change) large trace change predicted (1.08662e-08%) linmin: converged after 7 iterations. iteration 660: trace = 2.429159871391035 (1.08661e-08% change) linmin: converged after 14 iterations. iteration 661: trace = 2.429159871232291 (6.5349e-09% change) large trace change predicted (1.76444e-08%) linmin: converged after 4 iterations. iteration 662: trace = 2.429159870803683 (1.76443e-08% change) linmin: converged after 4 iterations. iteration 663: trace = 2.4291598704218 (1.57208e-08% change) linmin: converged after 8 iterations. iteration 664: trace = 2.429159870020711 (1.65114e-08% change) linmin: converged after 23 iterations. iteration 665: trace = 2.429159869830023 (7.84993e-09% change) large trace change predicted (2.02638e-08%) linmin: converged after 10 iterations. iteration 666: trace = 2.429159869337793 (2.02634e-08% change) linmin: converged after 4 iterations. iteration 667: trace = 2.429159869182738 (6.38306e-09% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159868933933 (1.02424e-08% change) linmin: converged after 11 iterations. iteration 669: trace = 2.429159868515784 (1.72138e-08% change) linmin: converged after 7 iterations. iteration 670: trace = 2.429159868347849 (6.91326e-09% change) large trace change predicted (1.93213e-08%) linmin: converged after 7 iterations. iteration 671: trace = 2.429159867878512 (1.9321e-08% change) linmin: converged after 4 iterations. iteration 672: trace = 2.429159867572521 (1.25966e-08% change) linmin: converged after 6 iterations. iteration 673: trace = 2.429159867343999 (9.40745e-09% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159867301667 (1.74264e-09% change) large trace change predicted (7.32213e-09%) linmin: converged after 6 iterations. iteration 675: trace = 2.429159867123798 (7.32224e-09% change) linmin: converged after 11 iterations. iteration 676: trace = 2.429159867035079 (3.65226e-09% change) linmin: converged after 8 iterations. iteration 677: trace = 2.429159866976784 (2.39979e-09% change) large trace change predicted (7.8274e-09%) linmin: converged after 2 iterations. iteration 678: trace = 2.429159866786645 (7.82736e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159866748065 (1.58823e-09% change) large trace change predicted (7.75396e-09%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159866559707 (7.75405e-09% change) linmin: converged after 4 iterations. iteration 681: trace = 2.429159866448763 (4.56716e-09% change) linmin: converged after 8 iterations. iteration 682: trace = 2.429159866344309 (4.29998e-09% change) large trace change predicted (9.80644e-09%) linmin: converged after 24 iterations. iteration 683: trace = 2.429159866106096 (9.80639e-09% change) linmin: converged after 4 iterations. iteration 684: trace = 2.429159865737589 (1.51702e-08% change) linmin: converged after 11 iterations. iteration 685: trace = 2.429159865589282 (6.10529e-09% change) large trace change predicted (1.8134e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865148775 (1.81341e-08% change) linmin: converged after 9 iterations. iteration 687: trace = 2.42915986461645 (2.1914e-08% change) linmin: converged after 16 iterations. iteration 688: trace = 2.42915986451461 (4.19241e-09% change) large trace change predicted (1.29238e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.429159864200666 (1.29239e-08% change) linmin: converged after 6 iterations. iteration 690: trace = 2.429159864046436 (6.34914e-09% change) linmin: converged after 7 iterations. iteration 691: trace = 2.429159863975077 (2.93758e-09% change) large trace change predicted (1.13727e-08%) linmin: converged after 19 iterations. iteration 692: trace = 2.429159863698817 (1.13727e-08% change) linmin: converged after 14 iterations. iteration 693: trace = 2.429159863467031 (9.54182e-09% change) linmin: converged after 17 iterations. iteration 694: trace = 2.42915986339394 (3.00889e-09% change) large trace change predicted (9.0694e-09%) linmin: converged after 6 iterations. iteration 695: trace = 2.42915986317363 (9.06941e-09% change) linmin: converged after 7 iterations. iteration 696: trace = 2.429159863067169 (4.38261e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.429159863000426 (2.74758e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159862869274 (5.39907e-09% change) linmin: converged after 15 iterations. iteration 699: trace = 2.429159862841849 (1.129e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159862817324 (1.0096e-09% change) large trace change predicted (4.41441e-09%) linmin: converged after 4 iterations. iteration 701: trace = 2.429159862710093 (4.41433e-09% change) linmin: converged after 7 iterations. iteration 702: trace = 2.429159862671657 (1.58229e-09% change) large trace change predicted (3.42792e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159862588381 (3.42817e-09% change) large trace change predicted (7.0267e-09%) linmin: converged after 5 iterations. iteration 704: trace = 2.429159862417694 (7.02659e-09% change) linmin: converged after 31 iterations. iteration 705: trace = 2.429159862299705 (4.8572e-09% change) linmin: converged after 21 iterations. iteration 706: trace = 2.429159862217822 (3.37083e-09% change) large trace change predicted (9.61264e-09%) linmin: converged after 7 iterations. iteration 707: trace = 2.429159861984319 (9.6125e-09% change) linmin: converged after 5 iterations. iteration 708: trace = 2.429159861910836 (3.02504e-09% change) large trace change predicted (6.39403e-09%) linmin: converged after 5 iterations. iteration 709: trace = 2.429159861755516 (6.39399e-09% change) linmin: converged after 32 iterations. iteration 710: trace = 2.429159861568509 (7.6984e-09% change) linmin: converged after 5 iterations. iteration 711: trace = 2.429159861446432 (5.0255e-09% change) linmin: converged after 5 iterations. iteration 712: trace = 2.4291598613165 (5.34883e-09% change) large trace change predicted (1.40112e-08%) linmin: converged after 4 iterations. iteration 713: trace = 2.429159860976155 (1.40108e-08% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159860905781 (2.89705e-09% change) large trace change predicted (1.26274e-08%) linmin: converged after 6 iterations. iteration 715: trace = 2.429159860599047 (1.26271e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.42915986043266 (6.84958e-09% change) linmin: converged after 9 iterations. iteration 717: trace = 2.429159860391763 (1.68357e-09% change) large trace change predicted (4.29243e-09%) linmin: converged after 17 iterations. iteration 718: trace = 2.429159860287493 (4.29246e-09% change) linmin: converged after 8 iterations. iteration 719: trace = 2.42915986019017 (4.00645e-09% change) linmin: converged after 13 iterations. iteration 720: trace = 2.429159860169502 (8.50807e-10% change) large trace change predicted (2.70274e-09%) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860103848 (2.70275e-09% change) linmin: converged after 15 iterations. iteration 722: trace = 2.429159860054798 (2.01922e-09% change) linmin: converged after 7 iterations. iteration 723: trace = 2.429159860031161 (9.73056e-10% change) large trace change predicted (3.96993e-09%) linmin: converged after 6 iterations. iteration 724: trace = 2.429159859934724 (3.96996e-09% change) linmin: converged after 15 iterations. iteration 725: trace = 2.429159859900426 (1.41192e-09% change) linmin: converged after 16 iterations. iteration 726: trace = 2.429159859833863 (2.74017e-09% change) linmin: converged after 4 iterations. iteration 727: trace = 2.429159859717016 (4.81018e-09% change) linmin: converged after 5 iterations. iteration 728: trace = 2.429159859612486 (4.30312e-09% change) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859518859 (3.85433e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859344885 (7.16187e-09% change) linmin: converged after 33 iterations. iteration 731: trace = 2.429159859160336 (7.59725e-09% change) linmin: converged after 14 iterations. iteration 732: trace = 2.429159859108275 (2.14317e-09% change) large trace change predicted (5.2769e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.42915985898009 (5.27695e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159858883916 (3.95912e-09% change) linmin: converged after 19 iterations. iteration 735: trace = 2.429159858817774 (2.72286e-09% change) linmin: converged after 25 iterations. iteration 736: trace = 2.429159858694342 (5.08124e-09% change) linmin: converged after 8 iterations. iteration 737: trace = 2.429159858540137 (6.3481e-09% change) linmin: converged after 19 iterations. iteration 738: trace = 2.429159858509353 (1.26726e-09% change) large trace change predicted (3.66781e-09%) linmin: converged after 19 iterations. iteration 739: trace = 2.429159858420257 (3.66775e-09% change) linmin: converged after 18 iterations. iteration 740: trace = 2.429159858389306 (1.27417e-09% change) linmin: converged after 15 iterations. iteration 741: trace = 2.429159858356002 (1.37099e-09% change) linmin: converged after 5 iterations. iteration 742: trace = 2.42915985830757 (1.99377e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858285608 (9.04098e-10% change) linmin: converged after 16 iterations. iteration 744: trace = 2.429159858267683 (7.37918e-10% change) large trace change predicted (2.52462e-09%) linmin: converged after 5 iterations. iteration 745: trace = 2.429159858206351 (2.52483e-09% change) linmin: converged after 7 iterations. iteration 746: trace = 2.42915985819415 (5.02269e-10% change) large trace change predicted (4.06531e-09%) linmin: converged after 16 iterations. iteration 747: trace = 2.429159858095398 (4.06526e-09% change) linmin: converged after 4 iterations. iteration 748: trace = 2.429159858022407 (3.0048e-09% change) large trace change predicted (6.3672e-09%) linmin: converged after 9 iterations. iteration 749: trace = 2.429159857867736 (6.36724e-09% change) linmin: converged after 16 iterations. iteration 750: trace = 2.429159857827281 (1.6654e-09% change) large trace change predicted (6.23167e-09%) linmin: converged after 6 iterations. iteration 751: trace = 2.429159857675906 (6.23157e-09% change) linmin: converged after 6 iterations. iteration 752: trace = 2.429159857563191 (4.64011e-09% change) linmin: converged after 6 iterations. iteration 753: trace = 2.429159857502253 (2.50856e-09% change) large trace change predicted (5.60543e-09%) linmin: converged after 24 iterations. iteration 754: trace = 2.429159857366087 (5.6055e-09% change) linmin: converged after 6 iterations. iteration 755: trace = 2.429159857333167 (1.35518e-09% change) large trace change predicted (3.08164e-09%) linmin: converged after 2 iterations. iteration 756: trace = 2.429159857258312 (3.08155e-09% change) linmin: converged after 7 iterations. iteration 757: trace = 2.429159857196233 (2.55557e-09% change) linmin: converged after 18 iterations. iteration 758: trace = 2.429159857139626 (2.3303e-09% change) linmin: converged after 22 iterations. iteration 759: trace = 2.429159857098365 (1.6986e-09% change) linmin: converged after 16 iterations. iteration 760: trace = 2.429159857034882 (2.61335e-09% change) linmin: converged after 4 iterations. iteration 761: trace = 2.429159857016957 (7.37918e-10% change) linmin: converged after 4 iterations. iteration 762: trace = 2.429159856987269 (1.22216e-09% change) linmin: converged after 17 iterations. iteration 763: trace = 2.429159856932958 (2.23578e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985691513 (7.33896e-10% change) large trace change predicted (3.37889e-09%) linmin: converged after 6 iterations. iteration 765: trace = 2.429159856833055 (3.37875e-09% change) linmin: converged after 12 iterations. iteration 766: trace = 2.429159856776765 (2.31725e-09% change) linmin: converged after 7 iterations. iteration 767: trace = 2.429159856742263 (1.42033e-09% change) large trace change predicted (6.3265e-09%) linmin: converged after 2 iterations. iteration 768: trace = 2.429159856588583 (6.32649e-09% change) linmin: converged after 5 iterations. iteration 769: trace = 2.429159856521711 (2.75286e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 770: trace = 2.429159856465041 (2.33293e-09% change) linmin: converged after 5 iterations. iteration 771: trace = 2.429159856358117 (4.40166e-09% change) linmin: converged after 28 iterations. iteration 772: trace = 2.429159856321537 (1.50587e-09% change) linmin: converged after 29 iterations. iteration 773: trace = 2.429159856298917 (9.31173e-10% change) large trace change predicted (3.32488e-09%) linmin: converged after 14 iterations. iteration 774: trace = 2.42915985621815 (3.32493e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856197543 (8.48284e-10% change) large trace change predicted (2.18775e-09%) linmin: converged after 3 iterations. iteration 776: trace = 2.429159856144396 (2.18789e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.429159856113923 (1.25446e-09% change) linmin: converged after 4 iterations. iteration 778: trace = 2.429159856105955 (3.28008e-10% change) large trace change predicted (1.34596e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856073258 (1.34604e-09% change) linmin: converged after 9 iterations. iteration 780: trace = 2.429159856046637 (1.09591e-09% change) linmin: converged after 3 iterations. iteration 781: trace = 2.429159856034334 (5.06455e-10% change) large trace change predicted (1.81928e-09%) linmin: converged after 4 iterations. iteration 782: trace = 2.429159855990141 (1.81926e-09% change) linmin: converged after 19 iterations. iteration 783: trace = 2.429159855942319 (1.96869e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159855917947 (1.00328e-09% change) large trace change predicted (2.94489e-09%) linmin: converged after 5 iterations. iteration 785: trace = 2.429159855846413 (2.94484e-09% change) linmin: converged after 17 iterations. iteration 786: trace = 2.429159855807143 (1.61659e-09% change) linmin: converged after 18 iterations. iteration 787: trace = 2.429159855781426 (1.05871e-09% change) large trace change predicted (4.05376e-09%) linmin: converged after 4 iterations. iteration 788: trace = 2.429159855682951 (4.05385e-09% change) linmin: converged after 18 iterations. iteration 789: trace = 2.429159855659141 (9.80186e-10% change) large trace change predicted (2.23559e-09%) linmin: converged after 7 iterations. iteration 790: trace = 2.429159855604836 (2.23555e-09% change) linmin: converged after 17 iterations. iteration 791: trace = 2.429159855555326 (2.03816e-09% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855544709 (4.3704e-10% change) large trace change predicted (1.50107e-09%) linmin: converged after 28 iterations. iteration 793: trace = 2.429159855508243 (1.50118e-09% change) linmin: converged after 17 iterations. iteration 794: trace = 2.429159855487035 (8.73056e-10% change) linmin: converged after 9 iterations. iteration 795: trace = 2.429159855460267 (1.10194e-09% change) linmin: converged after 10 iterations. iteration 796: trace = 2.429159855457197 (1.26381e-10% change) large trace change predicted (8.69335e-10%) linmin: converged after 23 iterations. iteration 797: trace = 2.429159855436085 (8.69125e-10% change) linmin: converged after 4 iterations. iteration 798: trace = 2.429159855425723 (4.26583e-10% change) linmin: converged after 11 iterations. iteration 799: trace = 2.429159855418599 (2.93255e-10% change) large trace change predicted (1.01055e-09%) linmin: converged after 9 iterations. iteration 800: trace = 2.429159855394055 (1.01037e-09% change) linmin: converged after 23 iterations. iteration 801: trace = 2.429159855354492 (1.62869e-09% change) linmin: converged after 4 iterations. iteration 802: trace = 2.429159855339087 (6.3417e-10% change) large trace change predicted (1.58762e-09%) linmin: converged after 27 iterations. iteration 803: trace = 2.429159855300523 (1.58756e-09% change) linmin: converged after 26 iterations. iteration 804: trace = 2.429159855239667 (2.5052e-09% change) linmin: converged after 19 iterations. iteration 805: trace = 2.429159855229303 (4.26674e-10% change) large trace change predicted (1.60593e-09%) linmin: converged after 7 iterations. iteration 806: trace = 2.429159855190296 (1.60578e-09% change) linmin: converged after 9 iterations. iteration 807: trace = 2.429159855164364 (1.06752e-09% change) linmin: converged after 4 iterations. iteration 808: trace = 2.4291598551539 (4.30769e-10% change) large trace change predicted (1.9215e-09%) linmin: converged after 30 iterations. iteration 809: trace = 2.429159855107222 (1.92156e-09% change) linmin: converged after 25 iterations. iteration 810: trace = 2.429159855072568 (1.42659e-09% change) linmin: converged after 19 iterations. iteration 811: trace = 2.429159855051487 (8.67827e-10% change) linmin: converged after 5 iterations. iteration 812: trace = 2.429159855019166 (1.33055e-09% change) linmin: converged after 4 iterations. iteration 813: trace = 2.42915985500638 (5.26345e-10% change) linmin: converged after 18 iterations. iteration 814: trace = 2.429159854993845 (5.16035e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159854979437 (5.93128e-10% change) linmin: converged after 3 iterations. iteration 816: trace = 2.42915985497046 (3.69526e-10% change) linmin: converged after 15 iterations. iteration 817: trace = 2.429159854962464 (3.29178e-10% change) large trace change predicted (6.97686e-10%) linmin: converged after 3 iterations. iteration 818: trace = 2.429159854945522 (6.97461e-10% change) linmin: converged after 18 iterations. iteration 819: trace = 2.429159854942891 (1.083e-10% change) large trace change predicted (6.75402e-10%) linmin: converged after 3 iterations. iteration 820: trace = 2.429159854926489 (6.75194e-10% change) linmin: converged after 12 iterations. iteration 821: trace = 2.429159854914258 (5.03512e-10% change) linmin: converged after 18 iterations. iteration 822: trace = 2.429159854909535 (1.94425e-10% change) large trace change predicted (1.18364e-09%) linmin: converged after 12 iterations. iteration 823: trace = 2.429159854880787 (1.18348e-09% change) linmin: converged after 12 iterations. iteration 824: trace = 2.429159854858846 (9.03221e-10% change) linmin: converged after 15 iterations. iteration 825: trace = 2.429159854831322 (1.13306e-09% change) linmin: converged after 6 iterations. iteration 826: trace = 2.429159854791128 (1.65465e-09% change) linmin: converged after 7 iterations. iteration 827: trace = 2.429159854748298 (1.76317e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854717928 (1.25024e-09% change) linmin: converged after 6 iterations. iteration 829: trace = 2.429159854700446 (7.19655e-10% change) linmin: converged after 21 iterations. iteration 830: trace = 2.429159854684589 (6.52781e-10% change) linmin: converged after 4 iterations. iteration 831: trace = 2.429159854656265 (1.166e-09% change) linmin: converged after 17 iterations. iteration 832: trace = 2.429159854650829 (2.23803e-10% change) large trace change predicted (1.01319e-09%) linmin: converged after 7 iterations. iteration 833: trace = 2.429159854626223 (1.01295e-09% change) linmin: converged after 4 iterations. iteration 834: trace = 2.42915985460857 (7.26675e-10% change) linmin: converged after 3 iterations. iteration 835: trace = 2.429159854601671 (2.84041e-10% change) linmin: converged after 14 iterations. iteration 836: trace = 2.429159854589374 (5.06217e-10% change) linmin: converged after 3 iterations. iteration 837: trace = 2.429159854584687 (1.92926e-10% change) linmin: converged after 2 iterations. iteration 838: trace = 2.429159854576523 (3.36107e-10% change) linmin: converged after 16 iterations. iteration 839: trace = 2.429159854568384 (3.35047e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.42915985456455 (1.57825e-10% change) linmin: converged after 4 iterations. iteration 841: trace = 2.429159854559047 (2.26546e-10% change) linmin: converged after 3 iterations. iteration 842: trace = 2.429159854550802 (3.39398e-10% change) linmin: converged after 19 iterations. iteration 843: trace = 2.429159854547918 (1.18721e-10% change) large trace change predicted (4.5065e-10%) linmin: converged after 3 iterations. iteration 844: trace = 2.429159854536973 (4.50605e-10% change) linmin: converged after 24 iterations. iteration 845: trace = 2.429159854522967 (5.76547e-10% change) linmin: converged after 6 iterations. iteration 846: trace = 2.429159854517335 (2.31865e-10% change) large trace change predicted (9.61058e-10%) linmin: converged after 12 iterations. iteration 847: trace = 2.429159854493989 (9.61064e-10% change) linmin: converged after 10 iterations. iteration 848: trace = 2.42915985448577 (3.38338e-10% change) linmin: converged after 6 iterations. iteration 849: trace = 2.429159854473306 (5.1311e-10% change) linmin: converged after 4 iterations. iteration 850: trace = 2.429159854457098 (6.67223e-10% change) linmin: converged after 4 iterations. iteration 851: trace = 2.429159854447013 (4.15175e-10% change) linmin: converged after 22 iterations. iteration 852: trace = 2.429159854430041 (6.98668e-10% change) linmin: converged after 4 iterations. iteration 853: trace = 2.429159854401489 (1.17538e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.429159854394316 (2.95321e-10% change) large trace change predicted (1.01136e-09%) linmin: converged after 4 iterations. iteration 855: trace = 2.429159854369746 (1.01145e-09% change) linmin: converged after 15 iterations. iteration 856: trace = 2.429159854356542 (5.43548e-10% change) linmin: converged after 11 iterations. iteration 857: trace = 2.429159854344461 (4.97351e-10% change) linmin: converged after 8 iterations. iteration 858: trace = 2.429159854327901 (6.81702e-10% change) linmin: converged after 6 iterations. iteration 859: trace = 2.429159854322308 (2.30257e-10% change) linmin: converged after 3 iterations. iteration 860: trace = 2.429159854318657 (1.50275e-10% change) linmin: converged after 9 iterations. iteration 861: trace = 2.429159854311619 (2.89745e-10% change) linmin: converged after 6 iterations. iteration 862: trace = 2.429159854304627 (2.87825e-10% change) linmin: converged after 18 iterations. iteration 863: trace = 2.429159854303058 (6.45889e-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: 6.537882566452026 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380124304858 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422813957853151 (0.435162% change) linmin: converged after 3 iterations. iteration 3: trace = 2.410436460818315 (0.512181% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737472281081 (0.23671% change) linmin: converged after 3 iterations. iteration 5: trace = 2.402921431695999 (0.0755478% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560348970514 (0.0566589% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273601112772 (0.0119408% change) large trace change predicted (0.0255597%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660422396954 (0.0255388% change) linmin: converged after 5 iterations. iteration 9: trace = 2.400394211407274 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303524499693 (0.00377807% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130152425029 (0.00722318% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008392599004 (0.00507318% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912583051916 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.39966612549191 (0.01027% change) linmin: converged after 3 iterations. iteration 15: trace = 2.39955686513503 (0.00455325% change) linmin: converged after 4 iterations. iteration 16: trace = 2.39937188603231 (0.00770918% change) linmin: converged after 4 iterations. iteration 17: trace = 2.399289072781011 (0.00345151% change) large trace change predicted (0.00782297%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101348936375 (0.00782445% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879563092243 (0.00924497% change) linmin: converged after 5 iterations. iteration 20: trace = 2.398649870205137 (0.00957547% change) large trace change predicted (0.0239454%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075268259338 (0.0239581% change) linmin: converged after 5 iterations. iteration 22: trace = 2.397887110182702 (0.00784652% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522294775239 (0.0152152% change) linmin: converged after 3 iterations. iteration 24: trace = 2.397281812088585 (0.010031% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981261499935 (0.0125379% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715626520207 (0.0110827% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618613907926 (0.00404781% change) large trace change predicted (0.0090078%) linmin: converged after 3 iterations. iteration 28: trace = 2.396402847978432 (0.00900334% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349175741548 (0.00223973% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256438116035 (0.00387003% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207645812547 (0.00203621% change) linmin: converged after 3 iterations. iteration 32: trace = 2.396167649113405 (0.00166918% change) large trace change predicted (0.00396802%) linmin: converged after 3 iterations. iteration 33: trace = 2.396072575763294 (0.0039678% change) linmin: converged after 14 iterations. iteration 34: trace = 2.396038774671857 (0.0014107% change) large trace change predicted (0.00652603%) linmin: converged after 12 iterations. iteration 35: trace = 2.395882463430421 (0.00652395% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832662700395 (0.00207862% change) large trace change predicted (0.00897499%) linmin: converged after 4 iterations. iteration 37: trace = 2.39561764812327 (0.00897493% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533905922083 (0.0034957% change) large trace change predicted (0.00705095%) linmin: converged after 4 iterations. iteration 39: trace = 2.39536495615372 (0.00705295% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255837403923 (0.00455552% change) linmin: converged after 5 iterations. iteration 41: trace = 2.395086666506282 (0.007063% change) linmin: converged after 7 iterations. iteration 42: trace = 2.395028266342813 (0.00243836% change) large trace change predicted (0.00633162%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876564762501 (0.00633422% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823822640608 (0.00220231% change) large trace change predicted (0.00784706%) linmin: converged after 4 iterations. iteration 45: trace = 2.39463588748624 (0.00784786% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551771201341 (0.00351276% change) large trace change predicted (0.00730796%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376648056848 (0.00731367% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320482220912 (0.00234577% change) large trace change predicted (0.00692652%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154609450363 (0.006928% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120835153223 (0.00141071% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082495560068 (0.00160142% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061913868271 (0.000859694% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035881744374 (0.00108737% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025507486848 (0.000433339% change) large trace change predicted (0.0010626%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000059486189 (0.00106299% change) linmin: converged after 5 iterations. iteration 56: trace = 2.393990088808856 (0.000416487% change) large trace change predicted (0.00146991%) linmin: converged after 3 iterations. iteration 57: trace = 2.393954902035357 (0.00146981% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941205589446 (0.000572128% change) large trace change predicted (0.00230758%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885961363607 (0.0023077% change) linmin: converged after 7 iterations. iteration 60: trace = 2.393857234377875 (0.00120002% change) large trace change predicted (0.0035278%) linmin: converged after 8 iterations. iteration 61: trace = 2.393772843716319 (0.00352536% change) linmin: converged after 4 iterations. iteration 62: trace = 2.393670914591524 (0.00425819% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605496480592 (0.002733% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393487963094304 (0.00491043% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448290672057 (0.00165753% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405497798788 (0.00178793% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393388072851804 (0.000728043% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359854223333 (0.00117903% change) linmin: converged after 4 iterations. iteration 69: trace = 2.393348483527521 (0.000475095% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343837015129 (0.000194143% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336363523268 (0.000312262% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333598170835 (0.000115544% change) linmin: converged after 3 iterations. iteration 73: trace = 2.393329150054836 (0.000185855% change) large trace change predicted (0.000414728%) linmin: converged after 4 iterations. iteration 74: trace = 2.39331922399139 (0.00041474% change) linmin: converged after 5 iterations. iteration 75: trace = 2.39331596569077 (0.000136142% change) large trace change predicted (0.000439215%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305453764279 (0.000439221% change) linmin: converged after 6 iterations. iteration 77: trace = 2.393296687312429 (0.000366291% change) linmin: converged after 4 iterations. iteration 78: trace = 2.39329144496132 (0.000219043% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393281124540538 (0.000431224% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393276815440569 (0.00018005% change) large trace change predicted (0.000404501%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267130640572 (0.000404668% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257359773369 (0.000408266% change) large trace change predicted (0.000854188%) linmin: converged after 4 iterations. iteration 83: trace = 2.3932369192801 (0.00085409% change) linmin: converged after 5 iterations. iteration 84: trace = 2.393229557837127 (0.000307594% change) large trace change predicted (0.00100509%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205497878049 (0.00100534% change) linmin: converged after 6 iterations. iteration 86: trace = 2.39319866014741 (0.000285715% change) large trace change predicted (0.000600605%) linmin: converged after 7 iterations. iteration 87: trace = 2.393184288761997 (0.000600511% change) linmin: converged after 5 iterations. iteration 88: trace = 2.393180115500064 (0.000174381% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172859481532 (0.000303196% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169669565756 (0.000133292% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393167343778703 (9.71844e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163700408488 (0.000152241% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162870254576 (3.46886e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 2.393161240938619 (6.80821e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159489493315 (7.31855e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 2.393158673817102 (3.40837e-05% change) large trace change predicted (8.56565e-05%) linmin: converged after 4 iterations. iteration 97: trace = 2.393156623982363 (8.5654e-05% change) linmin: converged after 5 iterations. iteration 98: trace = 2.393155251294039 (5.73589e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393154249135244 (4.18761e-05% change) large trace change predicted (0.000112009%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151568307313 (0.000112021% change) linmin: converged after 3 iterations. iteration 101: trace = 2.393149956347883 (6.73572e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393149015277626 (3.93235e-05% change) large trace change predicted (0.000107678%) linmin: converged after 5 iterations. iteration 103: trace = 2.393146438660454 (0.000107666% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393144081994803 (9.84757e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.39314308725204 (4.15664e-05% change) linmin: converged after 5 iterations. iteration 106: trace = 2.39314123328104 (7.74702e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138508263703 (0.000113868% change) linmin: converged after 3 iterations. iteration 108: trace = 2.393137240529313 (5.29737e-05% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393135806331574 (5.99296e-05% change) large trace change predicted (0.000129686%) linmin: converged after 3 iterations. iteration 110: trace = 2.393132703114377 (0.000129672% change) linmin: converged after 4 iterations. iteration 111: trace = 2.393130663063717 (8.52461e-05% change) linmin: converged after 2 iterations. iteration 112: trace = 2.393129702053291 (4.0157e-05% change) linmin: converged after 6 iterations. iteration 113: trace = 2.393127897284498 (7.54146e-05% change) linmin: converged after 2 iterations. iteration 114: trace = 2.393124696485005 (0.00013375% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122847811564 (7.72494e-05% change) linmin: converged after 2 iterations. iteration 116: trace = 2.393121444970771 (5.86197e-05% change) large trace change predicted (0.000135312%) linmin: converged after 4 iterations. iteration 117: trace = 2.393118206905052 (0.000135307% change) linmin: converged after 4 iterations. iteration 118: trace = 2.393114161332663 (0.00016905% change) linmin: converged after 6 iterations. iteration 119: trace = 2.393112369885688 (7.48584e-05% change) linmin: converged after 3 iterations. iteration 120: trace = 2.393110881531944 (6.21932e-05% change) large trace change predicted (0.000132911%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107700593636 (0.000132921% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104608047903 (0.000129227% change) linmin: converged after 5 iterations. iteration 123: trace = 2.393103244517627 (5.69775e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.393101749584581 (6.24684e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.39309881874507 (0.00012247% change) linmin: converged after 4 iterations. iteration 126: trace = 2.393096741782611 (8.67897e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 2.393095822111325 (3.84302e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 2.39309447002076 (5.64997e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393092157224396 (9.66446e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090972916624 (4.94886e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.393090426793293 (2.28208e-05% change) linmin: converged after 5 iterations. iteration 132: trace = 2.393089501967232 (3.86457e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.393088413822471 (4.54703e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 2.393088020957876 (1.64166e-05% change) linmin: converged after 4 iterations. iteration 135: trace = 2.393087780942407 (1.00295e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087334153206 (1.867e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.39308697399356 (1.505e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086796042441 (7.43605e-06% change) linmin: converged after 2 iterations. iteration 139: trace = 2.39308644358759 (1.4728e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085964419358 (2.0023e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.39308558578386 (1.58221e-05% change) large trace change predicted (3.70996e-05%) linmin: converged after 2 iterations. iteration 142: trace = 2.393084697946854 (3.71001e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083967712773 (3.05143e-05% change) large trace change predicted (9.09158e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081791888724 (9.09214e-05% change) linmin: converged after 4 iterations. iteration 145: trace = 2.393081047511928 (3.11054e-05% change) large trace change predicted (9.54116e-05%) linmin: converged after 2 iterations. iteration 146: trace = 2.393078764001862 (9.54214e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.393076685508733 (8.68544e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.393075978680122 (2.95364e-05% change) large trace change predicted (7.78024e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.393074116903839 (7.77985e-05% change) linmin: converged after 4 iterations. iteration 150: trace = 2.393073006262979 (4.64106e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.393072409379019 (2.49422e-05% change) large trace change predicted (6.27636e-05%) linmin: converged after 2 iterations. iteration 152: trace = 2.393070907251873 (6.27698e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.393070514675967 (1.64047e-05% change) large trace change predicted (4.71186e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393069387069712 (4.71197e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393069064685406 (1.34716e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 2.393068498408129 (2.36632e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067869936071 (2.62622e-05% change) linmin: converged after 5 iterations. iteration 158: trace = 2.393067640499179 (9.58756e-06% change) large trace change predicted (2.99995e-05%) linmin: converged after 4 iterations. iteration 159: trace = 2.393066922607111 (2.99988e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.393066760488533 (6.77451e-06% change) large trace change predicted (2.34839e-05%) linmin: converged after 5 iterations. iteration 161: trace = 2.393066198531526 (2.34827e-05% change) linmin: converged after 2 iterations. iteration 162: trace = 2.393065959542484 (9.98673e-06% change) large trace change predicted (3.04881e-05%) linmin: converged after 19 iterations. iteration 163: trace = 2.393065229947614 (3.04879e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.393064297196831 (3.89772e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063832751709 (1.9408e-05% change) large trace change predicted (9.00171e-05%) linmin: converged after 2 iterations. iteration 166: trace = 2.393061678473331 (9.00218e-05% change) linmin: converged after 5 iterations. iteration 167: trace = 2.393061021480222 (2.74541e-05% change) large trace change predicted (0.000104522%) linmin: converged after 2 iterations. iteration 168: trace = 2.393058520143947 (0.000104525% change) linmin: converged after 24 iterations. iteration 169: trace = 2.393057709799858 (3.38623e-05% change) large trace change predicted (7.10287e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393056009967242 (7.10319e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.393055120382709 (3.71736e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.39305443009403 (2.88455e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.393053481007506 (3.96601e-05% change) linmin: converged after 4 iterations. iteration 174: trace = 2.393053249749623 (9.66372e-06% change) large trace change predicted (3.40476e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.393052435010141 (3.4046e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.393052257800338 (7.40518e-06% change) large trace change predicted (2.80986e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.393051585401067 (2.8098e-05% change) linmin: converged after 2 iterations. iteration 178: trace = 2.393051363984962 (9.25246e-06% change) linmin: converged after 3 iterations. iteration 179: trace = 2.393051107935718 (1.06997e-05% change) linmin: converged after 2 iterations. iteration 180: trace = 2.393050898043621 (8.7709e-06% change) linmin: converged after 21 iterations. iteration 181: trace = 2.393050814413328 (3.49471e-06% change) linmin: converged after 3 iterations. iteration 182: trace = 2.39305067552257 (5.80392e-06% change) linmin: converged after 6 iterations. iteration 183: trace = 2.393050623327516 (2.18111e-06% change) large trace change predicted (9.06864e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.393050406299146 (9.06911e-06% change) linmin: converged after 5 iterations. iteration 185: trace = 2.393050207172795 (8.32103e-06% change) large trace change predicted (2.73197e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049553444872 (2.73178e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393049227524117 (1.36195e-05% change) large trace change predicted (3.88734e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.393048297279782 (3.88728e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.393047699063402 (2.49981e-05% change) large trace change predicted (5.02132e-05%) linmin: converged after 4 iterations. iteration 190: trace = 2.393046497495106 (5.02108e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045748889198 (3.12826e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044915937652 (3.48072e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044047539084 (3.62884e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.393043875749431 (7.17871e-06% change) large trace change predicted (1.50576e-05%) linmin: converged after 2 iterations. iteration 195: trace = 2.393043515402682 (1.50581e-05% change) linmin: converged after 4 iterations. iteration 196: trace = 2.393043462927638 (2.19282e-06% change) large trace change predicted (4.43053e-06%) linmin: converged after 2 iterations. iteration 197: trace = 2.393043356901575 (4.4306e-06% change) linmin: converged after 5 iterations. iteration 198: trace = 2.393043311784036 (1.88536e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043276761168 (1.46353e-06% change) large trace change predicted (3.49352e-06%) linmin: converged after 2 iterations. iteration 200: trace = 2.393043193159225 (3.49354e-06% change) linmin: converged after 8 iterations. iteration 201: trace = 2.39304316328524 (1.24837e-06% change) large trace change predicted (4.2649e-06%) linmin: converged after 20 iterations. iteration 202: trace = 2.39304306122494 (4.26488e-06% change) linmin: converged after 2 iterations. iteration 203: trace = 2.39304295381029 (4.48862e-06% change) linmin: converged after 3 iterations. iteration 204: trace = 2.39304284163176 (4.68769e-06% change) linmin: converged after 2 iterations. iteration 205: trace = 2.393042696903165 (6.04789e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042617994168 (3.29743e-06% change) linmin: converged after 2 iterations. iteration 207: trace = 2.393042511897021 (4.43357e-06% change) linmin: converged after 2 iterations. iteration 208: trace = 2.393042426723516 (3.55921e-06% change) linmin: converged after 11 iterations. iteration 209: trace = 2.39304230116735 (5.24672e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.393042226468239 (3.12151e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.393042168183205 (2.4356e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042100191334 (2.84123e-06% change) linmin: converged after 10 iterations. iteration 213: trace = 2.393042061999979 (1.59593e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393041992212131 (2.91628e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.393041942118815 (2.09329e-06% change) linmin: converged after 26 iterations. iteration 216: trace = 2.393041906870438 (1.47295e-06% change) linmin: converged after 6 iterations. iteration 217: trace = 2.393041867868708 (1.6298e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.393041859358093 (3.5564e-07% change) large trace change predicted (8.75587e-07%) linmin: converged after 2 iterations. iteration 219: trace = 2.393041838404728 (8.75595e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041820457918 (7.49958e-07% change) linmin: converged after 17 iterations. iteration 221: trace = 2.39304181176659 (3.63192e-07% change) large trace change predicted (9.76316e-07%) linmin: converged after 2 iterations. iteration 222: trace = 2.393041788402952 (9.76316e-07% change) linmin: converged after 4 iterations. iteration 223: trace = 2.393041774878442 (5.6516e-07% change) large trace change predicted (2.14019e-06%) linmin: converged after 21 iterations. iteration 224: trace = 2.393041723663142 (2.14018e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041671887843 (2.16358e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041603467304 (2.85915e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.393041515230374 (3.68723e-06% change) linmin: converged after 2 iterations. iteration 228: trace = 2.393041482455889 (1.36957e-06% change) large trace change predicted (2.98102e-06%) linmin: converged after 2 iterations. iteration 229: trace = 2.393041411117911 (2.98106e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.393041361388025 (2.0781e-06% change) linmin: converged after 14 iterations. iteration 231: trace = 2.393041330586436 (1.28713e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393041295243412 (1.47691e-06% change) linmin: converged after 8 iterations. iteration 233: trace = 2.393041278864061 (6.84458e-07% change) linmin: converged after 2 iterations. iteration 234: trace = 2.393041257500504 (8.92737e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041246889093 (4.43428e-07% change) linmin: converged after 3 iterations. iteration 236: trace = 2.3930412310829 (6.60507e-07% change) linmin: converged after 2 iterations. iteration 237: trace = 2.393041215897756 (6.34554e-07% change) linmin: converged after 6 iterations. iteration 238: trace = 2.393041208005772 (3.29789e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 2.393041193308563 (6.14164e-07% change) linmin: converged after 3 iterations. iteration 240: trace = 2.393041188389303 (2.05565e-07% change) large trace change predicted (6.52311e-07%) linmin: converged after 3 iterations. iteration 241: trace = 2.393041172779269 (6.52309e-07% change) linmin: converged after 22 iterations. iteration 242: trace = 2.393041160100434 (5.29821e-07% change) linmin: converged after 3 iterations. iteration 243: trace = 2.39304114899997 (4.63864e-07% change) large trace change predicted (1.29682e-06%) linmin: converged after 2 iterations. iteration 244: trace = 2.393041117966356 (1.29683e-06% change) linmin: converged after 10 iterations. iteration 245: trace = 2.393041107350222 (4.43625e-07% change) large trace change predicted (2.50813e-06%) linmin: converged after 2 iterations. iteration 246: trace = 2.393041047329311 (2.50814e-06% change) linmin: converged after 23 iterations. iteration 247: trace = 2.393041020536951 (1.11959e-06% change) large trace change predicted (4.42269e-06%) linmin: converged after 3 iterations. iteration 248: trace = 2.393040914700689 (4.42267e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.393040855022179 (2.49384e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040748463542 (4.45286e-06% change) linmin: converged after 16 iterations. iteration 251: trace = 2.393040710358679 (1.59232e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.393040643295781 (2.80241e-06% change) linmin: converged after 2 iterations. iteration 253: trace = 2.39304061423221 (1.2145e-06% change) linmin: converged after 2 iterations. iteration 254: trace = 2.393040598418901 (6.60804e-07% change) linmin: converged after 2 iterations. iteration 255: trace = 2.393040577851683 (8.5946e-07% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040572705137 (2.15063e-07% change) large trace change predicted (4.77152e-07%) linmin: converged after 3 iterations. iteration 257: trace = 2.393040561286761 (4.77149e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040557290889 (1.66979e-07% change) large trace change predicted (3.67111e-07%) linmin: converged after 4 iterations. iteration 259: trace = 2.393040548505703 (3.67114e-07% change) linmin: converged after 9 iterations. iteration 260: trace = 2.393040544262423 (1.77318e-07% change) large trace change predicted (3.91366e-07%) linmin: converged after 3 iterations. iteration 261: trace = 2.393040534896974 (3.91362e-07% change) linmin: converged after 2 iterations. iteration 262: trace = 2.393040521294636 (5.68412e-07% change) linmin: converged after 4 iterations. iteration 263: trace = 2.393040516174779 (2.13948e-07% change) large trace change predicted (7.08643e-07%) linmin: converged after 2 iterations. iteration 264: trace = 2.393040499216496 (7.0865e-07% change) linmin: converged after 4 iterations. iteration 265: trace = 2.393040491737621 (3.12526e-07% change) large trace change predicted (7.22952e-07%) linmin: converged after 27 iterations. iteration 266: trace = 2.393040474437362 (7.22941e-07% change) linmin: converged after 3 iterations. iteration 267: trace = 2.393040462744822 (4.88606e-07% change) linmin: converged after 2 iterations. iteration 268: trace = 2.393040445604542 (7.16255e-07% change) linmin: converged after 4 iterations. iteration 269: trace = 2.393040421199894 (1.01982e-06% change) linmin: converged after 10 iterations. iteration 270: trace = 2.393040409601803 (4.84659e-07% change) large trace change predicted (1.38722e-06%) linmin: converged after 4 iterations. iteration 271: trace = 2.39304037640564 (1.3872e-06% change) linmin: converged after 21 iterations. iteration 272: trace = 2.393040364852663 (4.82774e-07% change) large trace change predicted (1.5673e-06%) linmin: converged after 2 iterations. iteration 273: trace = 2.393040327346475 (1.5673e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040310364444 (7.09642e-07% change) large trace change predicted (1.47613e-06%) linmin: converged after 8 iterations. iteration 275: trace = 2.393040275040153 (1.47613e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.393040241114048 (1.4177e-06% change) linmin: converged after 5 iterations. iteration 277: trace = 2.393040200368841 (1.70265e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.393040164587187 (1.49524e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.393040143637449 (8.75445e-07% change) resetting CG direction... linmin: converged after 20 iterations. iteration 280: trace = 2.393040123615926 (8.36656e-07% change) linmin: converged after 26 iterations. iteration 281: trace = 2.393040097254723 (1.10158e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.393040080609036 (6.95587e-07% change) linmin: converged after 3 iterations. iteration 283: trace = 2.393040070023619 (4.42342e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.39304005365244 (6.84116e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393040049252831 (1.8385e-07% change) large trace change predicted (4.41918e-07%) linmin: converged after 3 iterations. iteration 286: trace = 2.393040038677494 (4.41921e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393040025509667 (5.50255e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.393040019654107 (2.44691e-07% change) large trace change predicted (5.17209e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393040007277034 (5.17211e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039997140364 (4.2359e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039989962083 (2.99965e-07% change) large trace change predicted (9.5808e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039967034778 (9.58083e-07% change) linmin: converged after 19 iterations. iteration 293: trace = 2.393039962769715 (1.78228e-07% change) large trace change predicted (5.5828e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.393039949409854 (5.5828e-07% change) linmin: converged after 2 iterations. iteration 295: trace = 2.393039940301859 (3.80604e-07% change) linmin: converged after 9 iterations. iteration 296: trace = 2.393039934340293 (2.49121e-07% change) large trace change predicted (7.05859e-07%) linmin: converged after 2 iterations. iteration 297: trace = 2.393039917448811 (7.05859e-07% change) linmin: converged after 12 iterations. iteration 298: trace = 2.393039910573973 (2.87285e-07% change) large trace change predicted (8.63755e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039889903911 (8.63758e-07% change) linmin: converged after 16 iterations. iteration 300: trace = 2.393039883607988 (2.63093e-07% change) linmin: converged after 4 iterations. iteration 301: trace = 2.393039872341665 (4.70795e-07% change) linmin: converged after 3 iterations. iteration 302: trace = 2.393039868547251 (1.5856e-07% change) linmin: converged after 2 iterations. iteration 303: trace = 2.393039864622915 (1.6399e-07% change) linmin: converged after 2 iterations. iteration 304: trace = 2.393039861818064 (1.17209e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.393039859681585 (8.92789e-08% change) linmin: converged after 3 iterations. iteration 306: trace = 2.393039858141666 (6.43499e-08% change) large trace change predicted (1.59118e-07%) linmin: converged after 2 iterations. iteration 307: trace = 2.393039854333894 (1.59119e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039852312407 (8.44736e-08% change) large trace change predicted (2.45614e-07%) linmin: converged after 3 iterations. iteration 309: trace = 2.393039846434784 (2.45613e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.393039842958436 (1.45269e-07% change) large trace change predicted (4.00408e-07%) linmin: converged after 26 iterations. iteration 311: trace = 2.39303983337652 (4.00408e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.393039827049448 (2.64395e-07% change) large trace change predicted (6.2286e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.39303981214422 (6.22857e-07% change) linmin: converged after 2 iterations. iteration 314: trace = 2.393039803193084 (3.74049e-07% change) large trace change predicted (8.47055e-07%) linmin: converged after 2 iterations. iteration 315: trace = 2.393039782922678 (8.47057e-07% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039775919828 (2.92634e-07% change) large trace change predicted (6.03112e-07%) linmin: converged after 3 iterations. iteration 317: trace = 2.393039761487149 (6.03111e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.393039757974968 (1.46766e-07% change) linmin: converged after 2 iterations. iteration 319: trace = 2.393039751324605 (2.77904e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.393039746925592 (1.83825e-07% change) linmin: converged after 6 iterations. iteration 321: trace = 2.393039741642429 (2.20772e-07% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039739594184 (8.55918e-08% change) linmin: converged after 6 iterations. iteration 323: trace = 2.393039736297653 (1.37755e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.393039734616863 (7.02366e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039732482706 (8.91818e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039730474012 (8.3939e-08% change) linmin: converged after 28 iterations. iteration 327: trace = 2.393039729541427 (3.89707e-08% change) large trace change predicted (1.25479e-07%) linmin: converged after 2 iterations. iteration 328: trace = 2.393039726538658 (1.25479e-07% change) linmin: converged after 5 iterations. iteration 329: trace = 2.393039725259905 (5.34363e-08% change) large trace change predicted (1.08967e-07%) linmin: converged after 3 iterations. iteration 330: trace = 2.393039722652271 (1.08967e-07% change) linmin: converged after 4 iterations. iteration 331: trace = 2.393039720055134 (1.08529e-07% change) linmin: converged after 4 iterations. iteration 332: trace = 2.39303971821311 (7.69742e-08% change) large trace change predicted (1.65289e-07%) linmin: converged after 4 iterations. iteration 333: trace = 2.393039714257687 (1.65289e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039711455557 (1.17095e-07% change) large trace change predicted (4.35667e-07%) linmin: converged after 3 iterations. iteration 335: trace = 2.393039701029889 (4.35666e-07% change) linmin: converged after 6 iterations. iteration 336: trace = 2.39303969414832 (2.87566e-07% change) large trace change predicted (6.18633e-07%) linmin: converged after 3 iterations. iteration 337: trace = 2.393039679344427 (6.18623e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039665738685 (5.68555e-07% change) linmin: converged after 2 iterations. iteration 339: trace = 2.393039658024705 (3.22351e-07% change) linmin: converged after 14 iterations. iteration 340: trace = 2.393039648022045 (4.1799e-07% change) linmin: converged after 3 iterations. iteration 341: trace = 2.393039645279689 (1.14597e-07% change) linmin: converged after 2 iterations. iteration 342: trace = 2.393039639860686 (2.26449e-07% change) linmin: converged after 2 iterations. iteration 343: trace = 2.393039638614395 (5.20798e-08% change) large trace change predicted (1.33225e-07%) linmin: converged after 31 iterations. iteration 344: trace = 2.393039635426273 (1.33225e-07% change) linmin: converged after 2 iterations. iteration 345: trace = 2.393039634396342 (4.30386e-08% change) large trace change predicted (2.76744e-07%) linmin: converged after 2 iterations. iteration 346: trace = 2.393039627773743 (2.76744e-07% change) linmin: converged after 2 iterations. iteration 347: trace = 2.393039623939238 (1.60236e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039620653532 (1.37303e-07% change) linmin: converged after 6 iterations. iteration 349: trace = 2.393039619165641 (6.21758e-08% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.39303961742302 (7.28204e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.393039616584213 (3.50519e-08% change) large trace change predicted (1.07232e-07%) linmin: converged after 2 iterations. iteration 352: trace = 2.393039614018103 (1.07232e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.393039612067748 (8.15011e-08% change) linmin: converged after 8 iterations. iteration 354: trace = 2.393039610485067 (6.61369e-08% change) large trace change predicted (1.6085e-07%) linmin: converged after 2 iterations. iteration 355: trace = 2.393039606635865 (1.6085e-07% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039604999336 (6.8387e-08% change) large trace change predicted (2.15251e-07%) linmin: converged after 2 iterations. iteration 357: trace = 2.393039599848283 (2.15252e-07% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039595199832 (1.94249e-07% change) linmin: converged after 2 iterations. iteration 359: trace = 2.393039590728982 (1.86827e-07% change) large trace change predicted (3.76711e-07%) linmin: converged after 2 iterations. iteration 360: trace = 2.393039581714138 (3.76711e-07% change) linmin: converged after 3 iterations. iteration 361: trace = 2.393039579624308 (8.73295e-08% change) large trace change predicted (3.15035e-07%) linmin: converged after 3 iterations. iteration 362: trace = 2.393039572085427 (3.15034e-07% change) linmin: converged after 4 iterations. iteration 363: trace = 2.393039569195385 (1.20769e-07% change) linmin: converged after 24 iterations. iteration 364: trace = 2.393039567347576 (7.7216e-08% change) linmin: converged after 3 iterations. iteration 365: trace = 2.393039564256501 (1.29169e-07% change) linmin: converged after 3 iterations. iteration 366: trace = 2.393039562988934 (5.29689e-08% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039560578459 (1.00729e-07% change) linmin: converged after 2 iterations. iteration 368: trace = 2.393039558922604 (6.91947e-08% change) linmin: converged after 26 iterations. iteration 369: trace = 2.393039557927479 (4.15841e-08% change) linmin: converged after 3 iterations. iteration 370: trace = 2.393039556595693 (5.56525e-08% change) linmin: converged after 3 iterations. iteration 371: trace = 2.393039555890322 (2.94759e-08% change) linmin: converged after 3 iterations. iteration 372: trace = 2.393039554797251 (4.56771e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039554116998 (2.84263e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039553586225 (2.21799e-08% change) linmin: converged after 2 iterations. iteration 375: trace = 2.393039552816456 (3.2167e-08% change) linmin: converged after 14 iterations. iteration 376: trace = 2.393039552509962 (1.28077e-08% change) large trace change predicted (3.80158e-08%) linmin: converged after 20 iterations. iteration 377: trace = 2.39303955160023 (3.80157e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.393039550102957 (6.25678e-08% change) linmin: converged after 2 iterations. iteration 379: trace = 2.393039547896684 (9.21954e-08% change) large trace change predicted (2.08605e-07%) linmin: converged after 13 iterations. iteration 380: trace = 2.393039542904686 (2.08605e-07% change) linmin: converged after 13 iterations. iteration 381: trace = 2.393039540914833 (8.31517e-08% change) large trace change predicted (2.68473e-07%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039534490165 (2.68473e-07% change) linmin: converged after 3 iterations. iteration 383: trace = 2.393039531743482 (1.14778e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.393039529022216 (1.13716e-07% change) linmin: converged after 2 iterations. iteration 385: trace = 2.3930395266464 (9.92803e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039525621313 (4.28362e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.39303952381167 (7.56211e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039522544793 (5.29401e-08% change) linmin: converged after 30 iterations. iteration 389: trace = 2.393039521254976 (5.38987e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039520146193 (4.63337e-08% change) linmin: converged after 3 iterations. iteration 391: trace = 2.393039519641123 (2.11058e-08% change) linmin: converged after 2 iterations. iteration 392: trace = 2.39303951876411 (3.66485e-08% change) linmin: converged after 4 iterations. iteration 393: trace = 2.393039518111734 (2.72614e-08% change) linmin: converged after 3 iterations. iteration 394: trace = 2.393039516866131 (5.20511e-08% change) linmin: converged after 2 iterations. iteration 395: trace = 2.393039515556683 (5.47191e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.393039514609391 (3.95853e-08% change) linmin: converged after 3 iterations. iteration 397: trace = 2.39303951301477 (6.66358e-08% change) linmin: converged after 20 iterations. iteration 398: trace = 2.393039512204096 (3.38763e-08% change) large trace change predicted (7.80343e-08%) linmin: converged after 2 iterations. iteration 399: trace = 2.393039510336703 (7.80344e-08% change) linmin: converged after 26 iterations. iteration 400: trace = 2.393039507857176 (1.03614e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.393039504890569 (1.23968e-07% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039501464116 (1.43184e-07% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039499809577 (6.91397e-08% change) linmin: converged after 2 iterations. iteration 404: trace = 2.393039497448843 (9.865e-08% change) linmin: converged after 3 iterations. iteration 405: trace = 2.393039496945668 (2.10266e-08% change) large trace change predicted (4.54251e-08%) linmin: converged after 2 iterations. iteration 406: trace = 2.393039495858626 (4.54252e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039495176422 (2.85078e-08% change) linmin: converged after 3 iterations. iteration 408: trace = 2.393039494649704 (2.20104e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.393039493868053 (3.26635e-08% change) linmin: converged after 3 iterations. iteration 410: trace = 2.393039493522389 (1.44446e-08% change) large trace change predicted (6.70969e-08%) linmin: converged after 2 iterations. iteration 411: trace = 2.393039491916734 (6.70969e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.393039491319515 (2.49565e-08% change) large trace change predicted (6.36703e-08%) linmin: converged after 4 iterations. iteration 413: trace = 2.393039489795858 (6.36704e-08% change) linmin: converged after 6 iterations. iteration 414: trace = 2.393039487678044 (8.84989e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039484497585 (1.32905e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039482872291 (6.79176e-08% change) linmin: converged after 3 iterations. iteration 417: trace = 2.393039480048833 (1.17986e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.393039477503596 (1.0636e-07% change) linmin: converged after 16 iterations. iteration 419: trace = 2.393039475639136 (7.79118e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039474206179 (5.98802e-08% change) linmin: converged after 4 iterations. iteration 421: trace = 2.393039473025051 (4.93568e-08% change) large trace change predicted (1.06788e-07%) linmin: converged after 4 iterations. iteration 422: trace = 2.393039470469564 (1.06788e-07% change) linmin: converged after 2 iterations. iteration 423: trace = 2.393039469730116 (3.08999e-08% change) large trace change predicted (1.1525e-07%) linmin: converged after 4 iterations. iteration 424: trace = 2.393039466972132 (1.1525e-07% change) linmin: converged after 33 iterations. iteration 425: trace = 2.393039466365175 (2.53634e-08% change) large trace change predicted (5.87761e-08%) linmin: converged after 20 iterations. iteration 426: trace = 2.393039464958636 (5.87763e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039464510041 (1.87458e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.393039463783371 (3.0366e-08% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039463425579 (1.49514e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039463222805 (8.47348e-09% change) large trace change predicted (1.98327e-08%) linmin: converged after 4 iterations. iteration 431: trace = 2.393039462748201 (1.98327e-08% change) linmin: converged after 27 iterations. iteration 432: trace = 2.393039462643557 (4.37282e-09% change) large trace change predicted (2.68203e-08%) linmin: converged after 2 iterations. iteration 433: trace = 2.393039462001738 (2.68202e-08% change) linmin: converged after 11 iterations. iteration 434: trace = 2.393039461780953 (9.22616e-09% change) large trace change predicted (2.79408e-08%) linmin: converged after 3 iterations. iteration 435: trace = 2.393039461112321 (2.79407e-08% change) linmin: converged after 3 iterations. iteration 436: trace = 2.393039460215512 (3.74757e-08% change) linmin: converged after 2 iterations. iteration 437: trace = 2.393039459745538 (1.96392e-08% change) large trace change predicted (7.14002e-08%) linmin: converged after 25 iterations. iteration 438: trace = 2.393039458036904 (7.14002e-08% change) linmin: converged after 22 iterations. iteration 439: trace = 2.393039457666539 (1.54768e-08% change) large trace change predicted (4.77735e-08%) linmin: converged after 2 iterations. iteration 440: trace = 2.393039456523302 (4.77734e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.393039456339768 (7.66948e-09% change) large trace change predicted (2.03303e-08%) linmin: converged after 3 iterations. iteration 442: trace = 2.393039455853257 (2.03302e-08% change) linmin: converged after 3 iterations. iteration 443: trace = 2.393039455603808 (1.04239e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303945522596 (1.57895e-08% change) linmin: converged after 2 iterations. iteration 445: trace = 2.393039454896127 (1.3783e-08% change) linmin: converged after 16 iterations. iteration 446: trace = 2.393039454711662 (7.70837e-09% change) linmin: converged after 5 iterations. iteration 447: trace = 2.393039454394383 (1.32584e-08% change) linmin: converged after 3 iterations. iteration 448: trace = 2.393039454238335 (6.52091e-09% change) linmin: converged after 4 iterations. iteration 449: trace = 2.393039453999304 (9.98861e-09% change) linmin: converged after 23 iterations. iteration 450: trace = 2.393039453869241 (5.43504e-09% change) large trace change predicted (1.63584e-08%) linmin: converged after 2 iterations. iteration 451: trace = 2.393039453477778 (1.63584e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039453348103 (5.41884e-09% change) large trace change predicted (1.64474e-08%) linmin: converged after 2 iterations. iteration 453: trace = 2.393039452954508 (1.64475e-08% change) linmin: converged after 3 iterations. iteration 454: trace = 2.393039452819819 (5.62837e-09% change) large trace change predicted (2.24653e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.39303945228222 (2.24651e-08% change) linmin: converged after 19 iterations. iteration 456: trace = 2.39303945199613 (1.19551e-08% change) large trace change predicted (2.58022e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.393039451378675 (2.58021e-08% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039450707573 (2.80439e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.393039450162363 (2.27831e-08% change) large trace change predicted (4.81083e-08%) linmin: converged after 3 iterations. iteration 460: trace = 2.393039449011113 (4.81083e-08% change) linmin: converged after 4 iterations. iteration 461: trace = 2.393039448761103 (1.04474e-08% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039448275103 (2.03089e-08% change) linmin: converged after 2 iterations. iteration 463: trace = 2.39303944809994 (7.31969e-09% change) linmin: converged after 2 iterations. iteration 464: trace = 2.393039448016191 (3.49967e-09% change) linmin: converged after 3 iterations. iteration 465: trace = 2.393039447902463 (4.75244e-09% change) linmin: converged after 3 iterations. iteration 466: trace = 2.393039447842428 (2.50876e-09% change) linmin: converged after 2 iterations. iteration 467: trace = 2.393039447760849 (3.409e-09% change) linmin: converged after 2 iterations. iteration 468: trace = 2.393039447613777 (6.14585e-09% change) linmin: converged after 4 iterations. iteration 469: trace = 2.39303944754306 (2.95508e-09% change) large trace change predicted (8.63194e-09%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039447336494 (8.63195e-09% change) linmin: converged after 13 iterations. iteration 471: trace = 2.393039447185928 (6.29186e-09% change) linmin: converged after 3 iterations. iteration 472: trace = 2.393039447053844 (5.51951e-09% change) large trace change predicted (1.36633e-08%) linmin: converged after 3 iterations. iteration 473: trace = 2.393039446726879 (1.36632e-08% change) linmin: converged after 17 iterations. iteration 474: trace = 2.393039446615982 (4.63413e-09% change) large trace change predicted (1.42315e-08%) linmin: converged after 2 iterations. iteration 475: trace = 2.393039446275415 (1.42316e-08% change) linmin: converged after 8 iterations. iteration 476: trace = 2.393039446089102 (7.78561e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039445784855 (1.27138e-08% change) linmin: converged after 16 iterations. iteration 478: trace = 2.39303944540156 (1.60171e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.393039445156301 (1.02488e-08% change) large trace change predicted (2.74501e-08%) linmin: converged after 2 iterations. iteration 480: trace = 2.39303944449941 (2.74501e-08% change) linmin: converged after 3 iterations. iteration 481: trace = 2.393039444279885 (9.17349e-09% change) large trace change predicted (3.18263e-08%) linmin: converged after 3 iterations. iteration 482: trace = 2.39303944351827 (3.18262e-08% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039443333255 (7.7314e-09% change) linmin: converged after 2 iterations. iteration 484: trace = 2.393039443004228 (1.37493e-08% change) linmin: converged after 3 iterations. iteration 485: trace = 2.39303944267546 (1.37385e-08% change) linmin: converged after 7 iterations. iteration 486: trace = 2.393039442608175 (2.81171e-09% change) large trace change predicted (8.9904e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039442393032 (8.99037e-09% change) linmin: converged after 4 iterations. iteration 488: trace = 2.393039442342964 (2.09225e-09% change) large trace change predicted (4.34127e-09%) linmin: converged after 3 iterations. iteration 489: trace = 2.393039442239075 (4.34126e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 490: trace = 2.393039442184964 (2.2612e-09% change) linmin: converged after 6 iterations. iteration 491: trace = 2.393039442161027 (1.00029e-09% change) large trace change predicted (5.6857e-09%) linmin: converged after 2 iterations. iteration 492: trace = 2.393039442024966 (5.6857e-09% change) linmin: converged after 9 iterations. iteration 493: trace = 2.393039441872982 (6.35109e-09% change) linmin: converged after 16 iterations. iteration 494: trace = 2.393039441701082 (7.18331e-09% change) large trace change predicted (1.56833e-08%) linmin: converged after 3 iterations. iteration 495: trace = 2.393039441325779 (1.56831e-08% change) linmin: converged after 4 iterations. iteration 496: trace = 2.393039441211788 (4.76344e-09% change) large trace change predicted (1.48522e-08%) linmin: converged after 2 iterations. iteration 497: trace = 2.39303944085637 (1.48522e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.393039440598281 (1.0785e-08% change) linmin: converged after 2 iterations. iteration 499: trace = 2.393039440345882 (1.05472e-08% change) linmin: converged after 2 iterations. iteration 500: trace = 2.393039439935951 (1.71301e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.393039439851639 (3.5232e-09% change) large trace change predicted (1.40842e-08%) linmin: converged after 2 iterations. iteration 502: trace = 2.393039439514599 (1.40842e-08% change) linmin: converged after 24 iterations. iteration 503: trace = 2.393039439403548 (4.64057e-09% change) linmin: converged after 4 iterations. iteration 504: trace = 2.393039439285229 (4.94428e-09% change) linmin: converged after 15 iterations. iteration 505: trace = 2.39303943914652 (5.79639e-09% change) linmin: converged after 3 iterations. iteration 506: trace = 2.393039439086246 (2.5187e-09% change) linmin: converged after 26 iterations. iteration 507: trace = 2.393039438988198 (4.09721e-09% change) linmin: converged after 21 iterations. iteration 508: trace = 2.393039438878307 (4.59212e-09% change) linmin: converged after 16 iterations. iteration 509: trace = 2.393039438841224 (1.54961e-09% change) large trace change predicted (3.22965e-09%) linmin: converged after 5 iterations. iteration 510: trace = 2.393039438763937 (3.22966e-09% change) linmin: converged after 16 iterations. iteration 511: trace = 2.393039438733785 (1.26e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.39303943870912 (1.03069e-09% change) linmin: converged after 13 iterations. iteration 513: trace = 2.39303943866326 (1.9164e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039438644809 (7.71029e-10% change) large trace change predicted (5.05109e-09%) linmin: converged after 5 iterations. iteration 515: trace = 2.393039438523934 (5.05108e-09% change) linmin: converged after 12 iterations. iteration 516: trace = 2.393039438469422 (2.27797e-09% change) large trace change predicted (7.15725e-09%) linmin: converged after 2 iterations. iteration 517: trace = 2.393039438298146 (7.15723e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.393039438014125 (1.18686e-08% change) linmin: converged after 4 iterations. iteration 519: trace = 2.393039437872779 (5.90657e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.393039437655179 (9.09303e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.393039437520089 (5.64515e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.393039437297263 (9.31141e-09% change) linmin: converged after 3 iterations. iteration 523: trace = 2.393039437156936 (5.86396e-09% change) linmin: converged after 24 iterations. iteration 524: trace = 2.393039437085292 (2.99385e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.39303943695845 (5.30046e-09% change) linmin: converged after 15 iterations. iteration 526: trace = 2.393039436914609 (1.83202e-09% change) linmin: converged after 4 iterations. iteration 527: trace = 2.393039436843865 (2.95622e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.39303943673263 (4.64831e-09% change) linmin: converged after 3 iterations. iteration 529: trace = 2.393039436690799 (1.74801e-09% change) linmin: converged after 8 iterations. iteration 530: trace = 2.393039436620647 (2.9315e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039436598385 (9.30289e-10% change) large trace change predicted (2.96243e-09%) linmin: converged after 3 iterations. iteration 532: trace = 2.393039436527491 (2.96249e-09% change) linmin: converged after 3 iterations. iteration 533: trace = 2.393039436461807 (2.74481e-09% change) linmin: converged after 4 iterations. iteration 534: trace = 2.393039436424172 (1.5727e-09% change) large trace change predicted (6.00559e-09%) linmin: converged after 4 iterations. iteration 535: trace = 2.393039436280454 (6.00566e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.39303943618887 (3.82708e-09% change) linmin: converged after 3 iterations. iteration 537: trace = 2.393039436036807 (6.35442e-09% change) linmin: converged after 2 iterations. iteration 538: trace = 2.393039435794245 (1.01361e-08% change) linmin: converged after 3 iterations. iteration 539: trace = 2.393039435700735 (3.90757e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039435531811 (7.05899e-09% change) linmin: converged after 2 iterations. iteration 541: trace = 2.393039435466259 (2.73924e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.39303943534544 (5.04878e-09% change) linmin: converged after 4 iterations. iteration 543: trace = 2.393039435298291 (1.97027e-09% change) linmin: converged after 4 iterations. iteration 544: trace = 2.393039435255517 (1.78742e-09% change) linmin: converged after 8 iterations. iteration 545: trace = 2.39303943522729 (1.17955e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.393039435188424 (1.62412e-09% change) linmin: converged after 8 iterations. iteration 547: trace = 2.393039435167712 (8.65505e-10% change) linmin: converged after 9 iterations. iteration 548: trace = 2.39303943512799 (1.65992e-09% change) large trace change predicted (3.40801e-09%) linmin: converged after 4 iterations. iteration 549: trace = 2.393039435046433 (3.40809e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.393039435014659 (1.32774e-09% change) large trace change predicted (6.842e-09%) linmin: converged after 23 iterations. iteration 551: trace = 2.393039434850928 (6.842e-09% change) linmin: converged after 2 iterations. iteration 552: trace = 2.393039434782558 (2.85703e-09% change) large trace change predicted (8.70625e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.393039434574214 (8.70625e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039434517141 (2.38494e-09% change) large trace change predicted (5.79028e-09%) linmin: converged after 2 iterations. iteration 555: trace = 2.393039434378577 (5.7903e-09% change) linmin: converged after 21 iterations. iteration 556: trace = 2.393039434298211 (3.35832e-09% change) large trace change predicted (7.26483e-09%) linmin: converged after 4 iterations. iteration 557: trace = 2.393039434124362 (7.26478e-09% change) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433935333 (7.89913e-09% change) large trace change predicted (1.666e-08%) linmin: converged after 3 iterations. iteration 559: trace = 2.39303943353665 (1.66601e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 560: trace = 2.393039433352452 (7.69724e-09% change) linmin: converged after 3 iterations. iteration 561: trace = 2.393039433201853 (6.29321e-09% change) linmin: converged after 3 iterations. iteration 562: trace = 2.39303943305918 (5.96198e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433019592 (1.65429e-09% change) large trace change predicted (3.65671e-09%) linmin: converged after 2 iterations. iteration 564: trace = 2.393039432932085 (3.65674e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039432890817 (1.72448e-09% change) linmin: converged after 4 iterations. iteration 566: trace = 2.393039432826563 (2.68503e-09% change) linmin: converged after 2 iterations. iteration 567: trace = 2.393039432795364 (1.30374e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.393039432748506 (1.95812e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.393039432732972 (6.49143e-10% change) linmin: converged after 4 iterations. iteration 570: trace = 2.393039432704891 (1.17345e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.393039432689627 (6.37841e-10% change) linmin: converged after 4 iterations. iteration 572: trace = 2.393039432677676 (4.99383e-10% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039432665824 (4.95264e-10% change) linmin: converged after 2 iterations. iteration 574: trace = 2.393039432659203 (2.76711e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.393039432647236 (5.00051e-10% change) linmin: converged after 4 iterations. iteration 576: trace = 2.393039432638745 (3.54839e-10% change) large trace change predicted (7.3409e-10%) linmin: converged after 7 iterations. iteration 577: trace = 2.39303943262118 (7.34006e-10% change) linmin: converged after 15 iterations. iteration 578: trace = 2.393039432603238 (7.49725e-10% change) linmin: converged after 17 iterations. iteration 579: trace = 2.393039432570474 (1.36914e-09% change) linmin: converged after 18 iterations. iteration 580: trace = 2.393039432553994 (6.8867e-10% change) large trace change predicted (2.12314e-09%) linmin: converged after 3 iterations. iteration 581: trace = 2.393039432503187 (2.12313e-09% change) linmin: converged after 13 iterations. iteration 582: trace = 2.393039432480832 (9.34186e-10% change) linmin: converged after 4 iterations. iteration 583: trace = 2.393039432452084 (1.2013e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.393039432424392 (1.15719e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.393039432407845 (6.91435e-10% change) linmin: converged after 2 iterations. iteration 586: trace = 2.393039432382961 (1.03985e-09% change) linmin: converged after 7 iterations. iteration 587: trace = 2.393039432366514 (6.87316e-10% change) linmin: converged after 3 iterations. iteration 588: trace = 2.393039432345494 (8.78384e-10% change) linmin: converged after 14 iterations. iteration 589: trace = 2.393039432339349 (2.56762e-10% change) large trace change predicted (5.89427e-10%) linmin: converged after 3 iterations. iteration 590: trace = 2.39303943232524 (5.89573e-10% change) linmin: converged after 9 iterations. iteration 591: trace = 2.393039432320826 (1.84462e-10% change) large trace change predicted (3.69118e-10%) linmin: converged after 6 iterations. iteration 592: trace = 2.393039432311989 (3.69276e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.393039432305279 (2.80423e-10% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039432295434 (4.11365e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.393039432281389 (5.86938e-10% change) linmin: converged after 6 iterations. iteration 596: trace = 2.393039432276467 (2.05692e-10% change) large trace change predicted (7.85524e-10%) linmin: converged after 3 iterations. iteration 597: trace = 2.39303943225767 (7.85485e-10% change) linmin: converged after 9 iterations. iteration 598: trace = 2.393039432252615 (2.11222e-10% change) large trace change predicted (8.39976e-10%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432232515 (8.39951e-10% change) linmin: converged after 6 iterations. iteration 600: trace = 2.393039432226268 (2.6103e-10% change) large trace change predicted (9.03088e-10%) linmin: converged after 2 iterations. iteration 601: trace = 2.39303943220466 (9.02936e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432189016 (6.53764e-10% change) linmin: converged after 2 iterations. iteration 603: trace = 2.393039432166445 (9.43168e-10% change) linmin: converged after 3 iterations. iteration 604: trace = 2.39303943213833 (1.17488e-09% change) linmin: converged after 2 iterations. iteration 605: trace = 2.393039432120859 (7.30091e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.393039432093853 (1.1285e-09% change) linmin: converged after 7 iterations. iteration 607: trace = 2.393039432086923 (2.8959e-10% change) linmin: converged after 2 iterations. iteration 608: trace = 2.393039432075805 (4.64607e-10% change) linmin: converged after 7 iterations. iteration 609: trace = 2.393039432071387 (1.84592e-10% change) linmin: converged after 5 iterations. iteration 610: trace = 2.393039432065358 (2.51974e-10% change) linmin: converged after 2 iterations. iteration 611: trace = 2.393039432062455 (1.21292e-10% change) linmin: converged after 3 iterations. iteration 612: trace = 2.393039432060148 (9.63879e-11% change) Finished solving for bands 2 to 10 after 612 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: 3.85097074508667 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887% Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355% Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% total elapsed time for run: 75.41577124595642 done /tmp/meepfwWQZ2/test_hermitian_eps-0: 75.42s /tmp/meepfwWQZ2/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: 0.1267223358154297 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812154 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363299 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859758 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951349 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135564 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.2070884324455 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814846 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.19315658004023 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379606 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477864 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205618 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657787 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093604258 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848075 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.18797477956343 (0.00115651% change) linmin: converged after 5 iterations. iteration 17: trace = 2.187966030722322 (0.000399861% change) linmin: converged after 5 iterations. iteration 18: trace = 2.187961616111454 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.1879597773419 (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 = 2.187958133390985 (7.72856e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 2.187958074545614 (2.68951e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 2.187958069787004 (2.17491e-07% change) linmin: converged after 7 iterations. iteration 26: trace = 2.187958069734503 (2.39955e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 2.187958069720223 (6.52649e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 2.187958069713313 (3.15821e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.187958069709288 (1.83972e-10% change) linmin: converged after 18 iterations. iteration 30: trace = 2.187958069706379 (1.32965e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704338 (9.32646e-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: 12.21383810043335 total elapsed time for run: 12.340667247772217 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepfwWQZ2/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 = 0.39808604025071664 s /tmp/meepfwWQZ2/test_hole_slab-0: 12.36s /tmp/meepfwWQZ2/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: 0.0019528865814208984 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 = 14.08603322828975 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550779 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.482417469982581 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909691 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789116 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653448 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558336 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277241 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069842 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696012 (0.00676256% change) linmin: converged after 4 iterations. iteration 11: trace = 4.384928986166431 (0.00232187% change) linmin: converged after 4 iterations. iteration 12: trace = 4.384903198778337 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818508 (0.000128143% change) linmin: converged after 13 iterations. iteration 14: trace = 4.384896578810197 (2.28285e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296354982 (6.44155e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.384896163448671 (3.031e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 4.384896108996914 (1.2418e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.384896055181356 (1.22729e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.384895970966074 (1.92058e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.38489590726072 (1.45284e-06% change) large trace change predicted (4.57068e-06%) linmin: converged after 10 iterations. iteration 21: trace = 4.384895706840789 (4.57069e-06% change) large trace change predicted (5.41044e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338154686 (5.40192e-05% change) large trace change predicted (0.000283059%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228104788 (0.000276177% change) linmin: converged after 7 iterations. iteration 24: trace = 4.384874398261604 (0.000155759% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500609987 (4.32772e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.3848713955458 (2.52017e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.384870693954905 (1.60003e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.384870461981484 (5.29031e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388767834 (1.66969e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 4.384870368921946 (4.52599e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.384870362402347 (1.48684e-07% change) linmin: converged after 9 iterations. iteration 32: trace = 4.384870359727408 (6.10038e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219287 (1.1588e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145627 (1.67987e-09% change) linmin: converged after 11 iterations. iteration 35: trace = 4.384870359129828 (3.60305e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120794 (2.06039e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.384870359115494 (1.20865e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114359 (2.58866e-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: 0.1029200553894043 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.39872195949743 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.39311735253206 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343357581851 (0.0859439% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788287284224 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878624289434 (0.0663499% change) large trace change predicted (0.244096%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047515311024 (0.224508% change) linmin: converged after 7 iterations. iteration 7: trace = 4.368118510614789 (0.135642% change) linmin: converged after 6 iterations. iteration 8: trace = 4.366002631629466 (0.0484509% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742801755479 (0.0288596% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161252396401 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460651575 (0.00398233% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770767711 (0.000817831% change) linmin: converged after 4 iterations. iteration 13: trace = 4.36393858374061 (0.000302181% change) linmin: converged after 5 iterations. iteration 14: trace = 4.36393008190258 (0.00019482% change) linmin: converged after 5 iterations. iteration 15: trace = 4.363920378512217 (0.000222355% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621681136 (0.00022358% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924465893 (0.000153468% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915392915 (6.89537e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331099684 (1.33892e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186221043 (3.31993e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.363900088964535 (2.22866e-06% change) linmin: converged after 7 iterations. iteration 22: trace = 4.363900060699683 (6.47697e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.363900055304586 (1.2363e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 4.363900051912999 (7.77192e-08% change) linmin: converged after 5 iterations. iteration 25: trace = 4.363900047515076 (1.0078e-07% change) linmin: converged after 23 iterations. iteration 26: trace = 4.363900042904723 (1.05648e-07% change) linmin: converged after 11 iterations. iteration 27: trace = 4.363900040389199 (5.7644e-08% change) linmin: converged after 10 iterations. iteration 28: trace = 4.363900039270392 (2.56378e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 4.363900038955546 (7.2148e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873566 (1.87859e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.363900038847111 (6.0623e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835859 (2.5783e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.363900038830814 (1.15604e-10% change) linmin: converged after 8 iterations. iteration 34: trace = 4.363900038828969 (4.22729e-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: 0.11957454681396484 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609713 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322943 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640949 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292328 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266941 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808996 (0.00022026% change) linmin: converged after 4 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 10 iterations. iteration 8: trace = 4.32599459465187 (1.62193e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 4.325994488077118 (2.46359e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.325994468151051 (4.60612e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562197 (1.29192e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.325994459723789 (6.56128e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374728 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749015 (1.4464e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 4.32599445760477 (3.33439e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.325994457594259 (2.42966e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.325994457593165 (2.52944e-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: 0.06075644493103027 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30600107092552 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932486 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.29851853832182 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198784 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.298101423772041 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.29808505991654 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323796 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492037 (2.25864e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.298080977563766 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767696 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493846 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439335 (1.26827e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.298080976434353 (1.15928e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.05729556083679199 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 = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617623 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707247 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043693 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619916 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28608714465769 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 25 iterations. iteration 10: trace = 4.28608712234582 (5.5367e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.286087121648094 (1.62788e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.286087121456529 (4.46946e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.28608712142735 (6.80792e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422133 (1.21723e-10% change) linmin: converged after 9 iterations. iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.05417203903198242 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792949 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942273 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283944159629766 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 9 iterations. iteration 6: trace = 4.283887176226486 (8.70288e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283886858681759 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.28388682691592 (7.41519e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283886820456622 (2.37293e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322502 (3.13079e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305657 (3.93222e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302826 (6.60968e-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: 0.047180891036987305 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396197 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190657 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392986 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 4 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037957 (1.15171e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.287889500347113 (5.60441e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28788950002585 (7.49233e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903878 (2.84456e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875897 (6.52563e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871684 (9.82448e-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: 0.04354596138000488 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492723 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537599 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277392 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777742 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.29990483034585 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.29990477686071 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.9308e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.29990477144707 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054311 (9.13415e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 4.299904770962038 (2.14593e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.299904770944448 (4.09088e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.299904770939913 (1.05468e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.299904770939231 (1.5843e-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: 0.050620079040527344 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090462 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755684 (0.0313068% change) linmin: converged after 4 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 = 4.319879323285335 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560536 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729278 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421852 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813207 (1.40894e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663674 (3.4615e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.319879224626948 (8.50146e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.319879224622893 (9.38781e-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: 0.05055046081542969 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370844 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089942 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085783 (0.00355484% change) linmin: converged after 5 iterations. iteration 4: trace = 4.347489679972002 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105884 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576345 (3.33648e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.347482711409496 (5.8233e-06% change) linmin: converged after 12 iterations. iteration 8: trace = 4.347482493192523 (5.01939e-06% change) linmin: converged after 18 iterations. iteration 9: trace = 4.347482344420544 (3.42203e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.347482298963946 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34748228971871 (2.12657e-07% change) linmin: converged after 31 iterations. iteration 12: trace = 4.347482287039397 (6.16291e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286360998 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300155 (1.3995e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.347482286295717 (1.02087e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.347482286295499 (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: 0.057924509048461914 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611532715 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036492409 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.38178878025707 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715853946 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092892972 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455722745 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816252429 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919174327 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330732579 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279463 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825428 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387274 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.38121616433571 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929224 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63268e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 4.381215668422753 (1.08827e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185727 (5.41004e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 4.381215667875738 (7.07542e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457714 (9.54128e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.381215660818165 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974618 (6.49031e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.381215657571822 (9.1937e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.381215657498217 (1.68002e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.381215657480995 (3.93082e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476102 (1.11681e-10% change) linmin: converged after 16 iterations. iteration 28: trace = 4.381215657475528 (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: 0.09869217872619629 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078381 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960042 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521737 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673116 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437412 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405223 (0.000131838% change) linmin: converged after 26 iterations. iteration 7: trace = 4.32273763909674 (2.13593e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.322737373315226 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966315 (1.14161e-06% change) linmin: converged after 17 iterations. iteration 10: trace = 4.322737320305617 (8.46847e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841389 (1.07392e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.322737319507413 (7.72602e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388518 (2.75046e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.322737319377671 (2.50936e-10% change) linmin: converged after 14 iterations. iteration 15: trace = 4.322737319376866 (1.86153e-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: 0.05421876907348633 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591897576 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684616559 (0.11875% change) linmin: converged after 5 iterations. iteration 3: trace = 4.301135561283133 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572761 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.30085681986073 (0.000742564% change) linmin: converged after 14 iterations. iteration 6: trace = 4.300852819316745 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232525 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938094 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117169 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505014 (3.74846e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.300851491410827 (2.18996e-09% change) linmin: converged after 9 iterations. iteration 12: trace = 4.300851491406211 (1.07324e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.30085149140595 (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: 0.04711437225341797 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.32434937401908 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387770052 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377062 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406396 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908553 (0.000701658% change) linmin: converged after 6 iterations. iteration 6: trace = 4.317114586098945 (8.04196e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 4.317113326114089 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372538 (8.54139e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.317112903543082 (1.24689e-06% change) linmin: converged after 20 iterations. iteration 10: trace = 4.317112897314943 (1.44266e-07% change) linmin: converged after 14 iterations. iteration 11: trace = 4.317112896825686 (1.1333e-08% change) linmin: converged after 7 iterations. iteration 12: trace = 4.317112896790956 (8.04462e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.317112896788794 (5.00757e-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: 0.04742550849914551 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521888273 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344799 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496616 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793687 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549699 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455404 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839154 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070666 (3.09223e-06% change) linmin: converged after 5 iterations. iteration 9: trace = 4.358297546325379 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.35829752236015 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194551 (1.18523e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.358297516480515 (1.63834e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.358297516296371 (4.22512e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225987 (1.61496e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.358297516215984 (2.29509e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.358297516212387 (8.2535e-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: 0.05742502212524414 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819852951 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.39527873831851 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538976 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085719 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461172 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836656 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775307 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979723 (0.000106994% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385086288853218 (1.87938e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697313 (2.37355e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.385086139058153 (1.45758e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.385086138940974 (2.67222e-09% change) large trace change predicted (7.9911e-09%) linmin: converged after 5 iterations. iteration 15: trace = 4.385086138590554 (7.99118e-09% change) large trace change predicted (6.98869e-08%) linmin: converged after 6 iterations. iteration 16: trace = 4.385086135525945 (6.98871e-08% change) large trace change predicted (2.99537e-07%) linmin: converged after 7 iterations. iteration 17: trace = 4.385086122390883 (2.99539e-07% change) large trace change predicted (1.05347e-06%) linmin: converged after 12 iterations. iteration 18: trace = 4.385086076197731 (1.05341e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 19: trace = 4.385075363377362 (0.000244302% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074751503768 (1.39535e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.385074131791603 (1.41323e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.385073498120102 (1.44506e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.3850728391906 (1.50266e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.385072141566585 (1.59091e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 4.385071390004491 (1.71391e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.385070567002641 (1.87683e-05% change) linmin: converged after 10 iterations. iteration 27: trace = 4.385069652320134 (2.0859e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068623117292 (2.34706e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067455913275 (2.66177e-05% change) linmin: converged after 6 iterations. iteration 30: trace = 4.385066132564182 (3.01785e-05% change) linmin: converged after 7 iterations. iteration 31: trace = 4.385064652751265 (3.37467e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.385063050710816 (3.6534e-05% change) linmin: converged after 10 iterations. iteration 33: trace = 4.385061400745426 (3.7627e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.385059792765557 (3.66695e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.385058292699991 (3.42086e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 4.385056925719566 (3.11736e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055687169101 (2.82448e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054559495551 (2.57163e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.385053522968946 (2.36377e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052560197837 (2.19557e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051657324839 (2.05898e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050803883862 (1.94625e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.385049992245298 (1.85092e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049217008356 (1.76791e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.385048474457228 (1.69337e-05% change) linmin: converged after 6 iterations. iteration 46: trace = 4.385047762107202 (1.6245e-05% change) linmin: converged after 9 iterations. iteration 47: trace = 4.385047078337947 (1.55932e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.385046422125289 (1.49648e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045792731911 (1.43532e-05% change) linmin: converged after 13 iterations. iteration 50: trace = 4.385045189703144 (1.37519e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.38504461255611 (1.31617e-05% change) linmin: converged after 5 iterations. iteration 52: trace = 4.385044060816794 (1.25823e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.38504353399636 (1.2014e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.385043031508665 (1.14591e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 4.385042552650464 (1.09203e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.385042096642393 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041662654589 (9.897e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 4.385041249778738 (9.41555e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040857070793 (8.95563e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 4.385040483570849 (8.51759e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 4.385040128308277 (8.10169e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039790310772 (7.70797e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039468628151 (7.33591e-06% change) linmin: converged after 7 iterations. iteration 64: trace = 4.385039162327915 (6.98512e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038870510874 (6.65483e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 4.385038592311513 (6.34429e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038326900565 (6.05265e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 4.38503807348842 (5.77902e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037831326652 (5.52246e-06% change) resetting CG direction... large trace change predicted (0.0031332%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900329100619 (0.00313576% change) linmin: converged after 3 iterations. iteration 71: trace = 4.384884254601342 (0.000366588% change) linmin: converged after 3 iterations. iteration 72: trace = 4.384873438720082 (0.000246663% change) linmin: converged after 3 iterations. iteration 73: trace = 4.384870688145813 (6.27287e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 4.384870449333986 (5.44627e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415882931 (7.62874e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 4.384870401147243 (3.36058e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492857 (1.74564e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389495106 (9.11715e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 4.384870388322232 (2.67482e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 4.384870388216734 (2.40597e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 4.384870388189753 (6.15302e-10% change) large trace change predicted (3.52411e-09%) linmin: converged after 4 iterations. iteration 82: trace = 4.38487038803525 (3.52357e-09% change) large trace change predicted (3.74764e-08%) linmin: converged after 28 iterations. iteration 83: trace = 4.384870386391934 (3.7477e-08% change) large trace change predicted (1.51153e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379764137 (1.51151e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 4.384870373683719 (1.38668e-07% change) linmin: converged after 7 iterations. iteration 86: trace = 4.384870369532241 (9.46773e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.38487036365659 (1.33998e-07% change) linmin: converged after 8 iterations. iteration 88: trace = 4.384870360442977 (7.32887e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 4.384870359584565 (1.95767e-08% change) linmin: converged after 14 iterations. iteration 90: trace = 4.384870359189046 (9.02009e-09% change) linmin: converged after 9 iterations. iteration 91: trace = 4.384870359114164 (1.70774e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106877 (1.66176e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 4.3848703591062 (1.54347e-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: 0.24802827835083008 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774273 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087806 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092526 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418488 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.785657777185661 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014189 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233968 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354988) to band 2 (0.3351850759916969), 0.020381849463972628% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% total elapsed time for run: 1.1999106407165527 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: 0.0018265247344970703 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 13 iterations. iteration 1: trace = 17.92607897538322 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119915343174 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109186977 (14.0209% change) linmin: converged after 5 iterations. iteration 4: trace = 6.58888652364287 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424246076 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866302 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823718502 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.474893456063001 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132514 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000407 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.47015757375367 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969771 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660893 (0.00751906% change) linmin: converged after 7 iterations. iteration 14: trace = 6.468841027070832 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577920377 (0.0026968% change) linmin: converged after 10 iterations. iteration 16: trace = 6.468592519446273 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.46856679543332 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940038 (0.000186803% change) linmin: converged after 6 iterations. iteration 19: trace = 6.468546490013834 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358513 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926657947 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161839825 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335214083 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 7 iterations. iteration 24: trace = 6.467419876616322 (0.0103043% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466887404305107 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640790414967 (0.00381356% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466547273459352 (0.00144615% change) linmin: converged after 4 iterations. iteration 28: trace = 6.466507039465316 (0.000622189% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489938107039 (0.000264461% change) linmin: converged after 4 iterations. iteration 30: trace = 6.466483473449076 (9.99717e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920991301 (7.04009e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475300003511 (5.59963e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466472640176281 (4.11326e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.466470979761616 (2.56773e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055019 (1.6465e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614943 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751725752 (6.61705e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.466468412461958 (5.24651e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466467929864256 (7.46308e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100427191 (1.28267e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255877623 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 8 iterations. iteration 42: trace = 6.46646122001997 (6.24121e-05% change) large trace change predicted (0.00015753%) linmin: converged after 6 iterations. iteration 43: trace = 6.466451030011505 (0.000157583% change) linmin: converged after 9 iterations. iteration 44: trace = 6.466433013331613 (0.000278618% change) linmin: converged after 11 iterations. iteration 45: trace = 6.466416782663948 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490528265 (0.000112769% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466406899774358 (4.00648e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.466406094478431 (1.24535e-05% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405844612755 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769907499 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747181907 (3.51441e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 6.46640573799684 (1.42043e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731539118 (9.98657e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.466405724920215 (1.02358e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 6.466405718048475 (1.06268e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327633 (7.3799e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709709058 (5.51662e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405707038169 (4.13041e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.466405704132005 (4.49425e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.466405699087506 (7.80109e-08% change) large trace change predicted (1.5603e-07%) linmin: converged after 2 iterations. iteration 61: trace = 6.466405688997896 (1.56031e-07% change) large trace change predicted (3.7443e-07%) linmin: converged after 15 iterations. iteration 62: trace = 6.466405664785508 (3.74433e-07% change) linmin: converged after 28 iterations. iteration 63: trace = 6.466405627489602 (5.76764e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 6.466405586875777 (6.28074e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.46640556506476 (3.37297e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.466405555907518 (1.41613e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405552605178 (5.10692e-08% change) linmin: converged after 2 iterations. iteration 68: trace = 6.466405551334731 (1.96469e-08% change) linmin: converged after 16 iterations. iteration 69: trace = 6.466405550799248 (8.281e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550642449 (2.42482e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503872 (2.14303e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.466405550445268 (9.06281e-10% change) linmin: converged after 3 iterations. iteration 73: trace = 6.466405550414719 (4.72425e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.46640555038379 (4.78303e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 6.466405550351928 (4.92725e-10% change) large trace change predicted (1.03812e-09%) linmin: converged after 3 iterations. iteration 76: trace = 6.466405550284806 (1.03802e-09% change) large trace change predicted (2.15834e-09%) linmin: converged after 5 iterations. iteration 77: trace = 6.466405550145241 (2.15831e-09% change) large trace change predicted (4.86711e-09%) linmin: converged after 3 iterations. iteration 78: trace = 6.466405549830503 (4.86729e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 6.466405549269239 (8.67969e-09% change) linmin: converged after 11 iterations. iteration 80: trace = 6.466405548567114 (1.0858e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547894586 (1.04003e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547386092 (7.86362e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.466405546958021 (6.61992e-09% change) linmin: converged after 8 iterations. iteration 84: trace = 6.466405546506333 (6.98514e-09% change) linmin: converged after 16 iterations. iteration 85: trace = 6.466405546057374 (6.94295e-09% change) linmin: converged after 2 iterations. iteration 86: trace = 6.46640554572432 (5.15053e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.466405545536675 (2.90184e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461352 (1.16483e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440622 (3.20595e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433945 (1.03248e-10% change) linmin: converged after 17 iterations. iteration 91: trace = 6.466405545431552 (3.70028e-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: 0.24345993995666504 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067052996546 (0.950104% change) linmin: converged after 5 iterations. iteration 2: trace = 6.43476570269001 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.41564474813926 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.39465360439015 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220861344239 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272818545 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062794824 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086332797 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.37201104783465 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458537317 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011456711 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519883851 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913676103 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529108516 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436772975 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391429577 (0.000377597% change) linmin: converged after 6 iterations. iteration 17: trace = 6.367957304387381 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626657136 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610031953 (0.000173002% change) linmin: converged after 6 iterations. iteration 20: trace = 6.367922428080588 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388196858 (6.34412e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 6.36791563959841 (4.31632e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 6.367913674060577 (3.08663e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 6.367912248327197 (2.23893e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.367910983142318 (1.98681e-05% change) linmin: converged after 8 iterations. iteration 26: trace = 6.367910002775989 (1.53954e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 6.3679094833749 (8.15654e-06% change) linmin: converged after 12 iterations. iteration 28: trace = 6.367909240413649 (3.8154e-06% change) linmin: converged after 12 iterations. iteration 29: trace = 6.367909155901818 (1.32715e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 6.367909122690675 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103767053 (2.97172e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.367909090577662 (2.07123e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277775 (1.77451e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 6.367909068648772 (1.66915e-07% change) linmin: converged after 15 iterations. iteration 35: trace = 6.367909061036096 (1.19547e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 6.367909056621722 (6.93222e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 6.367909054297022 (3.65065e-08% change) linmin: converged after 20 iterations. iteration 38: trace = 6.367909052624121 (2.62708e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314649 (2.05636e-08% change) linmin: converged after 3 iterations. iteration 40: trace = 6.367909050370929 (1.48199e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 6.367909049791784 (9.09474e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 6.367909049418198 (5.86671e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 6.367909049257639 (2.52137e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 6.367909049201544 (8.80896e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.367909049182624 (2.97114e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 6.367909049171304 (1.77764e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.367909049158719 (1.97639e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 6.367909049144635 (2.21169e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 6.367909049133679 (1.72059e-10% change) linmin: converged after 5 iterations. iteration 50: trace = 6.367909049127847 (9.15808e-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: 0.175004243850708 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 6.3200032605905 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319692 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010985 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874486335 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640793 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505048 (0.00135245% change) linmin: converged after 6 iterations. iteration 7: trace = 6.307433279783366 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930066 (0.000207541% change) linmin: converged after 4 iterations. iteration 9: trace = 6.307414904204794 (8.37918e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.307412046921582 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158996 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531604 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969257 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233323 (3.91184e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 6.307408593328487 (2.04371e-06% change) linmin: converged after 28 iterations. iteration 16: trace = 6.307408549531712 (6.9437e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807263 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970346 (7.66863e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.307408528488404 (2.34953e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.307408528005171 (7.66136e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.30740852785379 (2.40005e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 6.307408527794085 (9.46587e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.30740852775652 (5.95563e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.30740852773683 (3.12173e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.307408527727549 (1.47138e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722556 (7.91663e-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: 0.09220004081726074 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463612982484 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394750923 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604043969 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267175199 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152580638 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510427349 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752496 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428303634 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604383709 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.281988929449003 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844711 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759971988 (7.12812e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.281973995724686 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607873 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094742 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844382 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295188 (8.20589e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.28197156610134 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.28197156230419 (6.04452e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 6.281971560806641 (2.38388e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352625 (7.22728e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.281971560186313 (2.64745e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120159 (1.05308e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 6.281971560091682 (4.5331e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.281971560080309 (1.81044e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 6.281971560075125 (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: 0.0918576717376709 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369297 (0.430756% change) linmin: converged after 5 iterations. iteration 2: trace = 6.2892066843556 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834829 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800656 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271310484 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617309 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882139578 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341747 (0.00230942% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282800167347959 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282747004996441 (0.000846161% change) linmin: converged after 20 iterations. iteration 12: trace = 6.282703557062474 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229335338 (0.000339468% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282675130393072 (0.000112992% change) linmin: converged after 4 iterations. iteration 15: trace = 6.282672608965461 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548717 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329277 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190036 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233792 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010518 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784775 (1.30927e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753027 (4.82557e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 6.282671766763948 (1.5743e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.282671766458806 (4.85688e-09% change) linmin: converged after 9 iterations. iteration 25: trace = 6.282671766336981 (1.93907e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 6.282671766260684 (1.21441e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.282671766201569 (9.40913e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.282671766155278 (7.36804e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 6.282671766133061 (3.53636e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.282671766119807 (5.94459e-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: 0.10941028594970703 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451288 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025499247 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507706 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212721223 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229676 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398333 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.29949534067714 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630943 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766081 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255148 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455876 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215354 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924448 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016279 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263541 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985894 (2.37874e-05% change) linmin: converged after 6 iterations. iteration 18: trace = 6.29440645900385 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379217 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788376 (2.55133e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 6.294405782629287 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446981 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369189 (2.39543e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.294405733484955 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045221 (2.29406e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 6.294405712361794 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.29440571017969 (3.46673e-08% change) linmin: converged after 12 iterations. iteration 28: trace = 6.29440570899652 (1.87972e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.294405707877617 (1.77761e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.294405706286301 (2.52814e-08% change) linmin: converged after 20 iterations. iteration 31: trace = 6.294405704817242 (2.33391e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102966 (1.13478e-08% change) linmin: converged after 9 iterations. iteration 33: trace = 6.294405703768753 (5.30969e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 6.294405703545733 (3.54314e-09% change) linmin: converged after 7 iterations. iteration 35: trace = 6.294405703401987 (2.28372e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 6.294405703320324 (1.29739e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286798 (5.32633e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 6.294405703273476 (2.11645e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 6.294405703268611 (7.72979e-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: 0.13675332069396973 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176919602 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727760468 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.29761911485909 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147147 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595465 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687401 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150609 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841469 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.29646816300987 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.29646794117121 (3.52322e-06% change) linmin: converged after 10 iterations. iteration 11: trace = 6.296467865329763 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969857 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830014 (3.83387e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 6.296467783022486 (4.25755e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 6.296467750315617 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879384 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753017 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688737 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980607 (1.2242e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296467694261517 (9.08301e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403801 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402602 (1.5901e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296467690046349 (5.65799e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.29646768982429 (3.52672e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597053 (3.60896e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.296467689392037 (3.25605e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.296467689305392 (1.37608e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279556 (4.10329e-10% change) linmin: converged after 15 iterations. iteration 29: trace = 6.296467689270651 (1.41427e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.296467689265774 (7.74559e-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: 0.10577678680419922 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234781 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319124 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009928 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.30220020902879 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624336 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411512 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018786 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262022 (8.92239e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 6.301846911960352 (1.86501e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.301846388216972 (8.31095e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 6.301846085008105 (4.81143e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 6.30184588886787 (3.11243e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 6.301845757623044 (2.08264e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.30184569861957 (9.36289e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235487 (4.82146e-07% change) linmin: converged after 14 iterations. iteration 16: trace = 6.301845649790846 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932034 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.30184560184901 (4.35925e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.301845579579472 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110102 (1.97869e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.301845561609765 (8.72814e-08% change) linmin: converged after 26 iterations. iteration 22: trace = 6.301845559125026 (3.94288e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.301845557289972 (2.91193e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.301845555247236 (3.24149e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038564 (3.5048e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 6.301845551683946 (2.14956e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.301845551182741 (7.9533e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984634 (3.14364e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.301845550903847 (1.28196e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.301845550857776 (7.31067e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.30184555083353 (3.84751e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.30184555082548 (1.27747e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822877 (4.12952e-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: 0.12017059326171875 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115614864 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197751503 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572941805 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827669129 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208927556 (0.0029578% change) linmin: converged after 5 iterations. iteration 6: trace = 6.309229226566798 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973781213 (0.000416102% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30919440659967 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198229 (6.43094e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.309187375962605 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567454864 (2.86647e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.309184755086878 (1.2876e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.309184446575221 (4.88988e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.309184352025174 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579332 (8.15412e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 6.309184257672634 (6.80067e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 6.309184198715782 (9.34461e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.309184133927345 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.309184099681204 (5.42798e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.30918408410606 (2.46865e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 6.309184076911358 (1.14035e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438 (7.09023e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130057 (6.82805e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.309184063212676 (7.794e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450126 (1.07186e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362691 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652987 (4.29486e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 6.309184047348862 (2.06703e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.309184046823375 (8.32893e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545846 (4.39881e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.309184046419702 (1.99936e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.309184046373005 (7.40141e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.309184046358347 (2.32336e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353364 (7.8975e-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: 0.12062740325927734 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801917711 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470978049 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550837462 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553848058 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349123102 (0.00226642% change) linmin: converged after 5 iterations. iteration 6: trace = 6.318420288427251 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042071838 (0.000731932% change) linmin: converged after 5 iterations. iteration 8: trace = 6.318349508618049 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411522139 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606694 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476686 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523260427 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770551 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379766 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792305 (3.33296e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 6.318323450131578 (4.23626e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017672 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162412 (2.81491e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 6.318322903495034 (8.81047e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.318322888313275 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797128 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181355 (2.55728e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.318322881394603 (1.24519e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.318322880964139 (6.81294e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 6.318322880605 (5.68409e-09% change) linmin: converged after 15 iterations. iteration 26: trace = 6.318322880209585 (6.25823e-09% change) linmin: converged after 21 iterations. iteration 27: trace = 6.31832287959852 (9.6713e-09% change) linmin: converged after 14 iterations. iteration 28: trace = 6.318322878497074 (1.74326e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.318322877602431 (1.41595e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.31832287708382 (8.20805e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38021e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.318322876668267 (2.19674e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.318322876613936 (8.59892e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 6.318322876598196 (2.49121e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.12321114540100098 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568353543 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094181636 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309822502 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591274194 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210196264 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.33064396980161 (0.00188353% change) linmin: converged after 7 iterations. iteration 7: trace = 6.330526348136551 (0.00185799% change) linmin: converged after 13 iterations. iteration 8: trace = 6.330475545195476 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.330456130102515 (0.000306693% change) linmin: converged after 5 iterations. iteration 10: trace = 6.330448155863277 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917500964 (5.11554e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968357512 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826384102 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859955793 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902013757 (0.0001731% change) linmin: converged after 5 iterations. iteration 16: trace = 6.330408494649402 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091576583 (0.000243319% change) linmin: converged after 6 iterations. iteration 18: trace = 6.330384367755954 (0.000137809% change) linmin: converged after 6 iterations. iteration 19: trace = 6.330379302017224 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672644792 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.330359257233077 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260631059 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731579208 (0.00312042% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824562064017 (0.00436289% change) linmin: converged after 7 iterations. iteration 25: trace = 6.329581573906367 (0.00383886% change) linmin: converged after 6 iterations. iteration 26: trace = 6.329442199166004 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368645492959 (0.00116209% change) linmin: converged after 10 iterations. iteration 28: trace = 6.329332395863501 (0.000572723% change) linmin: converged after 4 iterations. iteration 29: trace = 6.329321991178512 (0.000164388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097988076 (4.57109e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.329318300206615 (1.26045e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.32931799410349 (4.83627e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317823129362 (2.7013e-06% change) linmin: converged after 6 iterations. iteration 34: trace = 6.329317711845055 (1.75824e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.329317634395559 (1.22366e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.329317560691636 (1.16448e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.32931747415502 (1.36723e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 6.329317376194909 (1.54772e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304171264 (1.13794e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.329317262603997 (6.56742e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.329317230522463 (5.06872e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195236122 (5.57506e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.329317162896908 (5.10943e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.329317144755773 (2.86621e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.329317134305412 (1.6511e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125696884 (1.3601e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115496575 (1.6116e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101155471 (2.26582e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.329317075190383 (4.10235e-07% change) large trace change predicted (8.61114e-07%) linmin: converged after 9 iterations. iteration 50: trace = 6.329317020686204 (8.61138e-07% change) large trace change predicted (2.13494e-06%) linmin: converged after 7 iterations. iteration 51: trace = 6.329316885549689 (2.13509e-06% change) large trace change predicted (4.29533e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613639072 (4.29605e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332925112 (4.43514e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.329316191102488 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143746306 (7.48204e-07% change) linmin: converged after 18 iterations. iteration 56: trace = 6.32931612694177 (2.65503e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120032678 (1.0916e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116868592 (4.9991e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.329316115420461 (2.28797e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114755848 (1.05006e-08% change) linmin: converged after 4 iterations. iteration 61: trace = 6.329316114258587 (7.85647e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.32931611357861 (1.07433e-08% change) linmin: converged after 7 iterations. iteration 63: trace = 6.32931611250308 (1.69928e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378772 (1.77635e-08% change) linmin: converged after 17 iterations. iteration 65: trace = 6.329316110808317 (9.01291e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.32931611061173 (3.10597e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525245 (1.36641e-09% change) linmin: converged after 16 iterations. iteration 68: trace = 6.329316110484219 (6.48202e-10% change) linmin: converged after 7 iterations. iteration 69: trace = 6.329316110465934 (2.88893e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458442 (1.18366e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.32931611045135 (1.12052e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445689 (8.94308e-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: 0.25105881690979004 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535386882 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987163942 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715447410408 (0.0710428% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209751381263 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423963655603 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418547572471 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762758268691 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505247164775 (0.00404597% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314495047947 (0.00299717% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187767542588 (0.00199124% change) linmin: converged after 4 iterations. iteration 11: trace = 6.364105946449937 (0.00128566% change) large trace change predicted (0.00305019%) linmin: converged after 4 iterations. iteration 12: trace = 6.363911973027979 (0.00304798% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499392011474 (0.0379175% change) linmin: converged after 17 iterations. iteration 14: trace = 6.360271253669679 (0.0193077% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373214130635 (0.0141205% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557209865869 (0.0128323% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758831376815 (0.0125568% change) linmin: converged after 4 iterations. iteration 18: trace = 6.35695020028015 (0.0127196% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356111990994002 (0.0131866% change) linmin: converged after 5 iterations. iteration 20: trace = 6.355220830187315 (0.0140215% change) linmin: converged after 7 iterations. iteration 21: trace = 6.354246050292112 (0.0153394% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159590078924 (0.0170996% change) linmin: converged after 5 iterations. iteration 23: trace = 6.35196059587473 (0.0188742% change) linmin: converged after 7 iterations. iteration 24: trace = 6.350699107250833 (0.0198618% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349457731438005 (0.019549% change) linmin: converged after 6 iterations. iteration 26: trace = 6.348291251576054 (0.018373% change) linmin: converged after 5 iterations. iteration 27: trace = 6.347197527381277 (0.0172301% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140279328147 (0.0166583% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081032208443 (0.0166926% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343998846697296 (0.017057% change) linmin: converged after 9 iterations. iteration 31: trace = 6.342897532952846 (0.0173614% change) linmin: converged after 6 iterations. iteration 32: trace = 6.341800207534998 (0.0173016% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340733702023742 (0.0168185% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713171756136 (0.0160961% change) linmin: converged after 10 iterations. iteration 35: trace = 6.338736461829757 (0.0154074% change) linmin: converged after 6 iterations. iteration 36: trace = 6.33778783665264 (0.0149666% change) linmin: converged after 5 iterations. iteration 37: trace = 6.336845169256096 (0.0148749% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335886962176028 (0.0151223% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899165822387 (0.0155917% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333882730716306 (0.0160463% change) linmin: converged after 7 iterations. iteration 41: trace = 6.33286010313808 (0.0161467% change) linmin: converged after 7 iterations. iteration 42: trace = 6.331873203918613 (0.015585% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966235762773 (0.0143249% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330163751312972 (0.0126763% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329463856162633 (0.0110571% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847345078376 (0.00974081% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289355750378 (0.00881699% change) linmin: converged after 5 iterations. iteration 48: trace = 6.327766397496983 (0.00826416% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259336647544 (0.00801359% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326754564654965 (0.00797805% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326244564109935 (0.00806134% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325727895894234 (0.00816739% change) linmin: converged after 5 iterations. iteration 53: trace = 6.325208013920704 (0.00821887% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324690671181235 (0.0081794% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324180794620297 (0.00806201% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680328087471 (0.00791385% change) linmin: converged after 4 iterations. iteration 57: trace = 6.32318781492698 (0.0077887% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699274017141 (0.00772648% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209415642527 (0.00774791% change) linmin: converged after 5 iterations. iteration 60: trace = 6.321712489184559 (0.00786032% change) linmin: converged after 5 iterations. iteration 61: trace = 6.321202501922708 (0.00806756% change) linmin: converged after 6 iterations. iteration 62: trace = 6.320672900221528 (0.00837853% change) linmin: converged after 6 iterations. iteration 63: trace = 6.320116030645042 (0.00881068% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319522825865787 (0.00938642% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318883234645984 (0.0101214% change) linmin: converged after 5 iterations. iteration 66: trace = 6.318187959672148 (0.0110037% change) linmin: converged after 6 iterations. iteration 67: trace = 6.31743189423737 (0.0119672% change) linmin: converged after 9 iterations. iteration 68: trace = 6.316618757955095 (0.0128721% change) linmin: converged after 6 iterations. iteration 69: trace = 6.315764596548945 (0.0135234% change) resetting CG direction... large trace change predicted (0.188887%) linmin: converged after 4 iterations. iteration 70: trace = 6.30377483351079 (0.190019% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300359863163028 (0.0541881% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320135225627 (0.016504% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061113389838 (0.00411199% change) linmin: converged after 3 iterations. iteration 74: trace = 6.29894674000712 (0.00181574% change) linmin: converged after 4 iterations. iteration 75: trace = 6.298877873119761 (0.00109331% change) linmin: converged after 4 iterations. iteration 76: trace = 6.298793443318489 (0.0013404% change) linmin: converged after 5 iterations. iteration 77: trace = 6.298725836212253 (0.00107334% change) linmin: converged after 4 iterations. iteration 78: trace = 6.298682922239421 (0.000681314% change) linmin: converged after 3 iterations. iteration 79: trace = 6.298642200531368 (0.000646514% change) linmin: converged after 3 iterations. iteration 80: trace = 6.298616546133387 (0.000407301% change) linmin: converged after 3 iterations. iteration 81: trace = 6.298604022115915 (0.000198838% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598783826391 (8.31659e-05% change) linmin: converged after 6 iterations. iteration 83: trace = 6.298597353919131 (2.2702e-05% change) linmin: converged after 13 iterations. iteration 84: trace = 6.298596364652583 (1.57061e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 6.298595759885517 (9.60162e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.298595315598257 (7.05375e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099396957 (3.43253e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.298595020017621 (1.26027e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974687637 (7.19684e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.298594929333673 (7.20065e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.298594895483319 (5.37427e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877344432 (2.87983e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868820416 (1.35332e-07% change) linmin: converged after 5 iterations. iteration 94: trace = 6.298594864524636 (6.82022e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 6.298594862453144 (3.28882e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905874 (8.68876e-09% change) linmin: converged after 19 iterations. iteration 97: trace = 6.298594861732207 (2.75724e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685732 (7.3786e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667191 (2.94363e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.298594861658075 (1.44735e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.29859486165409 (6.32722e-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: 0.35070133209228516 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987178494 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233361261 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394324921 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833051483 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916499 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170792 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992352109 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090529 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408679 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564533 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449735 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832897 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.28260865850598 (1.99482e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.282608607802819 (8.0704e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282608579576467 (4.49278e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246183 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481403 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131914 (5.33137e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.282608553958246 (1.86812e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.282608553518156 (7.0049e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 6.282608553300054 (3.47151e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 6.282608553189004 (1.76759e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 6.282608553137472 (8.2022e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 6.282608553118511 (3.01813e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.28260855311304 (8.70845e-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: 0.08854079246520996 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067843477 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191718284 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393602 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418353 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183249 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.29692785760085 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232909 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.296840480940103 (0.000309667% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296835118565327 (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 = 6.296831447029665 (1.76155e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296831011555446 (6.91577e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 6.296830859588104 (2.41339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.29683081631859 (6.87163e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.29683079971514 (2.63679e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163728 (8.8162e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 6.296830790795292 (1.61387e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.296830790487549 (4.88727e-09% change) linmin: converged after 21 iterations. iteration 20: trace = 6.29683079038124 (1.68829e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 6.296830790332562 (7.73062e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 6.29683079030516 (4.35173e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293806 (1.80306e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 6.296830790289763 (6.42067e-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: 0.08543610572814941 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112054111 (0.562684% change) linmin: converged after 6 iterations. iteration 2: trace = 6.360316161579064 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854586 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685735 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306038 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160624 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703357 (0.000783992% change) linmin: converged after 5 iterations. iteration 8: trace = 6.356067894802454 (0.000383254% change) linmin: converged after 6 iterations. iteration 9: trace = 6.356057959422968 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445724 (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 = 6.356050456386635 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.356049967376735 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 28 iterations. iteration 16: trace = 6.356049901388708 (2.85404e-07% change) linmin: converged after 23 iterations. iteration 17: trace = 6.356049892735019 (1.36149e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356049887839802 (7.70166e-08% change) linmin: converged after 14 iterations. iteration 19: trace = 6.356049885347 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857859 (2.34287e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.356049883361588 (7.80785e-09% change) linmin: converged after 9 iterations. iteration 22: trace = 6.356049883209116 (2.39885e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 6.356049883160932 (7.5809e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 6.356049883141623 (3.03789e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 6.356049883134007 (1.19811e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.356049883130337 (5.77395e-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: 0.09240412712097168 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768772931 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173738512 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167065866 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479664611 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953734 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054692 (0.000950981% change) linmin: converged after 5 iterations. iteration 7: trace = 6.467983140883332 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050007465 (0.000357003% change) linmin: converged after 5 iterations. iteration 9: trace = 6.467927172636561 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580582 (0.000446853% change) linmin: converged after 10 iterations. iteration 11: trace = 6.467871940836226 (0.000407084% change) linmin: converged after 10 iterations. iteration 12: trace = 6.467850751198577 (0.000327614% change) linmin: converged after 7 iterations. iteration 13: trace = 6.467835734516946 (0.000232174% change) linmin: converged after 10 iterations. iteration 14: trace = 6.467812737195286 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878039142 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 11 iterations. iteration 16: trace = 6.467537992289778 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240856515 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782268256 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440164 (0.00269434% change) linmin: converged after 8 iterations. iteration 20: trace = 6.466437876281591 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072562876 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918629861 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.46640927950021 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508489901 (1.19233e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.466407804625891 (1.08849e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466407055859862 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660054711 (6.12094e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 6.466406474887561 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394960384 (1.23604e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.466406364405307 (4.7252e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466406353488566 (1.68822e-07% change) linmin: converged after 29 iterations. iteration 32: trace = 6.466406348132334 (8.28317e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 6.466406341484168 (1.02811e-07% change) large trace change predicted (2.07296e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328079522 (2.07297e-07% change) large trace change predicted (4.9286e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296209299 (4.92858e-07% change) large trace change predicted (1.36399e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406208006756 (1.36401e-06% change) large trace change predicted (3.01516e-06%) linmin: converged after 6 iterations. iteration 37: trace = 6.46640601302609 (3.01529e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405815025164 (3.06199e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733870723 (1.25502e-06% change) linmin: converged after 10 iterations. iteration 40: trace = 6.466405707776289 (4.03538e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.466405697328108 (1.61576e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 6.466405689145759 (1.26536e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.466405679866695 (1.43496e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.466405673447975 (9.92626e-08% change) linmin: converged after 3 iterations. iteration 45: trace = 6.466405669427485 (6.2175e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 6.466405667382207 (3.16293e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466405666184069 (1.85287e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665512342 (1.03879e-08% change) linmin: converged after 10 iterations. iteration 49: trace = 6.466405664658528 (1.32038e-08% change) large trace change predicted (3.62388e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.466405662315172 (3.62389e-08% change) large trace change predicted (1.23484e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654330202 (1.23484e-07% change) large trace change predicted (2.49052e-07%) linmin: converged after 4 iterations. iteration 52: trace = 6.466405638225295 (2.49055e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405616910763 (3.29619e-07% change) linmin: converged after 20 iterations. iteration 54: trace = 6.466405589352709 (4.26173e-07% change) linmin: converged after 7 iterations. iteration 55: trace = 6.466405565247541 (3.72775e-07% change) linmin: converged after 10 iterations. iteration 56: trace = 6.466405553446517 (1.82497e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548896816 (7.0359e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405546945157 (3.01815e-08% change) linmin: converged after 3 iterations. iteration 59: trace = 6.466405546068716 (1.35538e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.466405545766956 (4.66657e-09% change) linmin: converged after 2 iterations. iteration 61: trace = 6.466405545619112 (2.28635e-09% change) linmin: converged after 3 iterations. iteration 62: trace = 6.466405545535531 (1.29253e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405545465535 (1.08246e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 6.466405545408477 (8.82368e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.466405545374013 (5.32984e-10% change) linmin: converged after 6 iterations. iteration 66: trace = 6.466405545356618 (2.68992e-10% change) linmin: converged after 2 iterations. iteration 67: trace = 6.466405545350629 (9.26307e-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: 0.18059039115905762 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674928 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140964 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606967 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898029 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.016865668391553 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418435 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707196 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364384 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839870785 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% total elapsed time for run: 2.3696699142456055 done /tmp/meepfwWQZ2/test_honey_rods-0: 3.57s /tmp/meepfwWQZ2/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: 0.015002012252807617 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 = 1.196766755531376 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581377 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025026 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197167 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624339 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438205 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436863 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528689 (0.000382526% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2804485287729153 (6.39261e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.2804485117540474 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314581 (9.35141e-07% change) linmin: converged after 8 iterations. iteration 12: trace = 0.2804485089210583 (7.50226e-08% change) linmin: converged after 12 iterations. iteration 13: trace = 0.2804485089016305 (6.9274e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2804485088974218 (1.50072e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 0.280448508897052 (1.31866e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 0.2804485088969895 (2.22877e-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 = 5.347589493999721 (197.909% change) linmin: converged after 9 iterations. iteration 2: trace = 1.508143754927859 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.30885203849705 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329593 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.226166609694067 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652072 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880573 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842118 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833299 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073498 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209399 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060555842 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188175 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082397 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607439 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484556 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880453 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511906 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769638 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.212099650116126 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915325 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314504 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935237 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 4 iterations. iteration 25: trace = 1.211829202049093 (0.00264223% change) linmin: converged after 4 iterations. iteration 26: trace = 1.211809541117955 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378116 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161111 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648672 (0.00327605% change) linmin: converged after 12 iterations. iteration 30: trace = 1.211675291898178 (0.00195222% change) linmin: converged after 4 iterations. iteration 31: trace = 1.211662280998979 (0.0010738% change) linmin: converged after 6 iterations. iteration 32: trace = 1.211643382935836 (0.00155969% change) linmin: converged after 3 iterations. iteration 33: trace = 1.21162659992948 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078076388 (0.00103348% change) linmin: converged after 3 iterations. iteration 35: trace = 1.211602453573654 (0.000959427% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303621 (0.000342518% change) linmin: converged after 5 iterations. iteration 37: trace = 1.211596448985042 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613230226 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534408696 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947233665 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638927 (6.0383e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891730514 (2.67342e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.211589741312548 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153671 (4.80021e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.211589639031611 (3.64167e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.211589594611976 (3.66623e-06% change) linmin: converged after 16 iterations. iteration 47: trace = 1.21158956839903 (2.16352e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.211589556367128 (9.93067e-07% change) linmin: converged after 12 iterations. iteration 49: trace = 1.211589549125041 (5.97734e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.2115895441677 (4.0916e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501929 (3.85095e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 1.211589533344457 (5.08214e-07% change) linmin: converged after 9 iterations. iteration 53: trace = 1.211589524572527 (7.24002e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 1.211589518683627 (4.86047e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 1.211589515923279 (2.27829e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935591 (2.46592e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 1.211589509905646 (2.5008e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 1.211589507242269 (2.19825e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504814006 (2.0042e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 1.211589503458499 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828647 (5.19856e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 1.211589502438252 (3.22217e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003797 (3.58582e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370284 (5.22878e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031977 (2.79226e-08% change) linmin: converged after 3 iterations. iteration 66: trace = 1.211589500878287 (1.2685e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 1.21158950079275 (7.05987e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767795 (2.05974e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.21158950075596 (9.76814e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.21158950075149 (3.68917e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746368 (4.22797e-10% change) linmin: converged after 7 iterations. iteration 72: trace = 1.211589500739956 (5.29166e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.211589500735592 (3.60212e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 1.211589500732078 (2.90002e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.21158950073009 (1.64134e-10% change) linmin: converged after 3 iterations. iteration 76: trace = 1.211589500729285 (6.64527e-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: 1.7615571022033691 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/meepfwWQZ2/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/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 = 0.1859754481091568 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650495 (0.0642985% change) linmin: converged after 5 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 = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945269 (2.82781e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930404 (7.99847e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37184e-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 = 1.339583206386292 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626458423 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.32635914351785 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417050729 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659992566 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842349925 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191028 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891297 (0.00295265% change) linmin: converged after 17 iterations. iteration 9: trace = 1.321739521847481 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.32172572941 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827627019 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967652 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062615 (9.79716e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.321713670509885 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167839179 (3.80317e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.321712690348121 (3.61267e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.321712534926184 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068828 (6.37339e-06% change) linmin: converged after 10 iterations. iteration 19: trace = 1.32171239202251 (4.43862e-06% change) linmin: converged after 21 iterations. iteration 20: trace = 1.321712300288046 (6.94058e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.321712123338654 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019293129 (7.87203e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507513 (1.35268e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646560349 (1.46739e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.32171153630515 (8.34185e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.321711488278091 (3.6337e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300561 (1.28451e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138105 (3.14929e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116482 (7.72955e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723406 (2.97399e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580958 (1.07776e-08% change) linmin: converged after 12 iterations. iteration 32: trace = 1.321711465510911 (5.29973e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480893 (2.27109e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470898 (7.56242e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.321711465466492 (3.33341e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.321711465464968 (1.15297e-10% change) linmin: converged after 5 iterations. iteration 37: trace = 1.321711465463817 (8.71069e-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: 1.0604133605957031 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791531 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15879e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000717308 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05437e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80896e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4468e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841856 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219118 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.67324e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2385111399178054 (4.84333e-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 = 1.328636670020124 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404602893 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.31830807614734 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425799536 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727764998 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321375499 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402655878 (0.00105619% change) linmin: converged after 5 iterations. iteration 8: trace = 1.31780603387865 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113936861 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254173948 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412525109 (6.38679e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.317796108428165 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055313722 (4.03055e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024469763 (2.34057e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013250307 (8.5138e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 1.317796004194447 (6.87197e-07% change) large trace change predicted (1.71398e-06%) linmin: converged after 4 iterations. iteration 17: trace = 1.317795981607712 (1.71398e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944620041 (2.80678e-06% change) large trace change predicted (6.37213e-06%) linmin: converged after 3 iterations. iteration 19: trace = 1.317795860650072 (6.372e-06% change) linmin: converged after 12 iterations. iteration 20: trace = 1.317795777380561 (6.31885e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 1.31779574800059 (2.22948e-06% change) linmin: converged after 16 iterations. iteration 22: trace = 1.317795733123424 (1.12894e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.317795727441445 (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 = 1.317795723846536 (7.22671e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.317795723608519 (1.80617e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.317795723503124 (7.99781e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.317795723438862 (4.87649e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.317795723419224 (1.49024e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411639 (5.75552e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.317795723409143 (1.89407e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.31779572340844 (5.3363e-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: 0.944770336151123 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.71985e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.30469e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 5.09285e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.09166e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.67165e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.0908e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/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 = 0.3105199359398264 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848053 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 12 iterations. iteration 7: trace = 0.3098213371286763 (2.99596e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3098213371284357 (7.76529e-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 = 1.321059189141428 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993799497 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436182195 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.30752816825027 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.30710837640601 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612857335 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046916447 (0.00356296% change) linmin: converged after 5 iterations. iteration 8: trace = 1.30690316799575 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582452536 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468965577 (0.000161718% change) linmin: converged after 6 iterations. iteration 11: trace = 1.306893729383213 (5.65908e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106725554 (4.76441e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656149497 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.30689237076729 (2.18367e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 1.306892063585956 (2.35047e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774968052 (2.20843e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.306891306623066 (3.58366e-05% change) large trace change predicted (0.000143899%) linmin: converged after 11 iterations. iteration 18: trace = 1.306889429035959 (0.000143668% change) large trace change predicted (0.000647086%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342257495 (0.000618783% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864835477 (0.00302078% change) linmin: converged after 7 iterations. iteration 21: trace = 1.30681431727907 (0.00210797% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215996903 (0.00260953% change) linmin: converged after 7 iterations. iteration 23: trace = 1.306736703688265 (0.00332979% change) linmin: converged after 5 iterations. iteration 24: trace = 1.306707762015391 (0.00221483% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694950184262 (0.000980471% change) linmin: converged after 7 iterations. iteration 26: trace = 1.306687572013256 (0.000564645% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169874993 (0.000336894% change) linmin: converged after 5 iterations. iteration 28: trace = 1.306680461142352 (0.000207299% change) linmin: converged after 3 iterations. iteration 29: trace = 1.306678614061887 (0.000141357% change) linmin: converged after 5 iterations. iteration 30: trace = 1.306677292167454 (0.000101165% change) linmin: converged after 3 iterations. iteration 31: trace = 1.306676263847242 (7.86974e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 1.306675403364562 (6.58528e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674673046392 (5.58913e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.306674108939373 (4.31712e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 1.306673737743566 (2.84077e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.30667351396107 (1.71261e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.30667336254353 (1.1588e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.306673228441995 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109728395 (9.08518e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.306673026788126 (6.34744e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971290257 (4.24727e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203631 (3.06784e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 1.306672900420406 (2.35585e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.306672873955531 (2.02536e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.30667284995383 (1.83686e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.30667282803325 (1.67759e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.306672808494411 (1.49531e-06% change) linmin: converged after 14 iterations. iteration 48: trace = 1.306672792916271 (1.1922e-06% change) linmin: converged after 10 iterations. iteration 49: trace = 1.306672780727505 (9.32809e-07% change) linmin: converged after 11 iterations. iteration 50: trace = 1.306672769619262 (8.50117e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 1.30667275826849 (8.68677e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746661385 (8.88295e-07% change) linmin: converged after 6 iterations. iteration 53: trace = 1.306672734228445 (9.51496e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.306672719745739 (1.10837e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.306672703450572 (1.24707e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 1.30667268574403 (1.35509e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 1.306672664175223 (1.65067e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 1.306672633630349 (2.33761e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.306672591460604 (3.22726e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 1.306672545961993 (3.48202e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 1.306672503510987 (3.24879e-06% change) linmin: converged after 6 iterations. iteration 62: trace = 1.306672460349332 (3.30317e-06% change) linmin: converged after 13 iterations. iteration 63: trace = 1.306672416062792 (3.38926e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 1.306672371464127 (3.41315e-06% change) linmin: converged after 7 iterations. iteration 65: trace = 1.306672322038946 (3.78252e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 1.306672266788318 (4.22835e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213751226 (4.05894e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.306672169749355 (3.36748e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 1.306672130588269 (2.99701e-06% change) resetting CG direction... large trace change predicted (6.25532e-06%) linmin: converged after 16 iterations. iteration 70: trace = 1.306672048852402 (6.25527e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012705562 (2.76633e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000109404 (9.63988e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995821452 (3.28158e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993013895 (2.14863e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990411293 (1.99178e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 1.30667198915404 (9.62179e-08% change) linmin: converged after 25 iterations. iteration 77: trace = 1.306671988478535 (5.16966e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987984886 (3.77791e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987250895 (5.61726e-08% change) large trace change predicted (1.1298e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985774619 (1.1298e-07% change) large trace change predicted (2.50107e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982506565 (2.50105e-07% change) large trace change predicted (5.4206e-07%) linmin: converged after 11 iterations. iteration 82: trace = 1.306671975423662 (5.42057e-07% change) linmin: converged after 8 iterations. iteration 83: trace = 1.306671966779786 (6.61518e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 1.306671961716131 (3.87523e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.306671959301204 (1.84815e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 1.306671956817843 (1.90052e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127963 (1.29327e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377692 (5.74185e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 1.306671954035964 (2.61526e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899621 (1.04344e-08% change) linmin: converged after 3 iterations. iteration 91: trace = 1.306671953836773 (4.80977e-09% change) linmin: converged after 5 iterations. iteration 92: trace = 1.306671953798491 (2.92969e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790936 (5.78209e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 1.306671953788964 (1.50933e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788107 (6.55595e-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: 2.4456660747528076 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 8.98754e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 4.04091e-16i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -2.36127e-11 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -1.84978e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -4.84174e-12 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -4.92353e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/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 = 0.3749816076769492 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522111 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3749802404009221 (1.59362e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.374980240382886 (4.80989e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822896 (1.59037e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3749802403822775 (3.22722e-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 = 1.298011037468976 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309343067 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984123772 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230165745 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339058738 (0.0146679% change) linmin: converged after 3 iterations. iteration 6: trace = 1.287483849663597 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.286852872035689 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 9 iterations. iteration 8: trace = 1.285207985524536 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768320604 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500817555 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726278301 (0.231794% change) linmin: converged after 9 iterations. iteration 12: trace = 1.275637347194566 (0.151604% change) linmin: converged after 6 iterations. iteration 13: trace = 1.274202244926636 (0.112564% change) linmin: converged after 6 iterations. iteration 14: trace = 1.273022593151316 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215512613 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536153105 (0.0576135% change) linmin: converged after 8 iterations. iteration 17: trace = 1.270883530954769 (0.0365038% change) linmin: converged after 6 iterations. iteration 18: trace = 1.270618409254573 (0.0208634% change) linmin: converged after 6 iterations. iteration 19: trace = 1.270378371272835 (0.0188932% change) linmin: converged after 7 iterations. iteration 20: trace = 1.270104933850805 (0.0215264% change) linmin: converged after 4 iterations. iteration 21: trace = 1.269895617280796 (0.0164816% change) linmin: converged after 6 iterations. iteration 22: trace = 1.269782882745059 (0.00887786% change) linmin: converged after 7 iterations. iteration 23: trace = 1.269719750687436 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766451559 (0.00338539% change) linmin: converged after 5 iterations. iteration 25: trace = 1.269642283701054 (0.00271591% change) linmin: converged after 3 iterations. iteration 26: trace = 1.269619087414573 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472691354 (0.000914824% change) linmin: converged after 6 iterations. iteration 28: trace = 1.26960075952771 (0.00052876% change) linmin: converged after 11 iterations. iteration 29: trace = 1.269595125044792 (0.000443801% change) linmin: converged after 6 iterations. iteration 30: trace = 1.269590376582243 (0.000374015% change) linmin: converged after 8 iterations. iteration 31: trace = 1.269587297967761 (0.000242489% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545822664 (0.000138009% change) linmin: converged after 6 iterations. iteration 33: trace = 1.269584427092741 (8.81178e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532197 (6.44747e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 1.269583043842194 (4.44784e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.269582710117496 (2.62862e-05% change) linmin: converged after 11 iterations. iteration 37: trace = 1.269582517553372 (1.51675e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.269582385132086 (1.04303e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.269582283106135 (8.03618e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.269582214899105 (5.3724e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.269582174667709 (3.16887e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 1.269582148213005 (2.08373e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127625049 (1.62163e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 1.269582111948474 (1.23478e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 1.269582102246501 (7.64186e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 1.269582096787492 (4.29985e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349984 (2.70759e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147439 (1.73486e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 1.26958208980672 (1.05603e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 1.269582088919595 (6.98754e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 1.269582088274996 (5.07726e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760964 (4.04883e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 1.269582087362722 (3.1368e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 1.269582087136661 (1.7806e-08% change) linmin: converged after 9 iterations. iteration 55: trace = 1.269582087016048 (9.50018e-09% change) linmin: converged after 7 iterations. iteration 56: trace = 1.269582086921809 (7.42286e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 1.269582086848856 (5.74622e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086811074 (2.97592e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 1.269582086792603 (1.45489e-09% change) linmin: converged after 7 iterations. iteration 60: trace = 1.26958208678127 (8.92651e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771783 (7.47295e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086762962 (6.94774e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.269582086756905 (4.77081e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.26958208675339 (2.76878e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751108 (1.79758e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.26958208674982 (1.01405e-10% change) linmin: converged after 17 iterations. iteration 67: trace = 1.269582086748789 (8.12391e-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: 1.797959327697754 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 6.04367e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + -2.46288e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 1.97312e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 1.23558e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 1.15109e-11 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 2.34675e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/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 = 0.4044979732169221 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.402503461195553 (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 = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536846 (5.5398e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024193537529455 (1.83672e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4024193537529305 (3.72448e-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 = 1.246579896085778 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423794865 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101538 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273219 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.240049955230067 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550806 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.240045445498691 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286185 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300232 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080152 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186143 (7.20948e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 1.240045257084784 (8.17386e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 1.240045257064697 (1.61986e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.24004525706123 (2.79533e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 1.240045257060959 (2.18813e-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: 0.5560176372528076 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by 1.59637e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by -1 + 1.53943e-14i; max ampl. = 0.472309 Fixing e-field (band 6) phase by -2.37317e-11 + -1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 2.49106e-15i; max ampl. = 0.600013 Fixing e-field (band 8) phase by -7.61896e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + -2.50349e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepfwWQZ2/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896235 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898796 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.2090774143742964 at Vector3<0.0, 0.0, 0.0> to 0.2647069574281045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.2527689948075879 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.3373371031125568 at Vector3<0.0, 0.0, 0.0> to 0.44249766491694126 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.44826277655382385 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.468390327176045 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.45149540295292095 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4713194836227727 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801745 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925342 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.4629066580431404 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324135 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% total elapsed time for run: 8.78740644454956 done /tmp/meepfwWQZ2/test_line_defect-0: 8.79s /tmp/meepfwWQZ2/test_list_split-0 ======================== /tmp/meepfwWQZ2/test_list_split-0: 0.00s /tmp/meepfwWQZ2/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: 0.0016570091247558594 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14330625534057617 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42143893241882324 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09245920181274414 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08566784858703613 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0991055965423584 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15416240692138672 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11620807647705078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09919023513793945 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0852813720703125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08276534080505371 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08157539367675781 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06482148170471191 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07506585121154785 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10265898704528809 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12010073661804199 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24982309341430664 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.075777053833008 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: 0.0015819072723388672 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14064908027648926 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4242277145385742 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09290838241577148 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.0861976146697998 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09973502159118652 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15516233444213867 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11689925193786621 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.0998990535736084 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08588647842407227 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0824582576751709 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08212876319885254 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06524133682250977 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07559609413146973 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10341453552246094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12087345123291016 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24958395957946777 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.082947015762329 done /tmp/meepfwWQZ2/test_load_and_save_eigenvectors-0: 4.16s /tmp/meepfwWQZ2/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: 0.0011429786682128906 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 = 0.4898474331528381 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.225635440105843 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470997 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911659 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372628 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528239 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 5 iterations. iteration 9: trace = 0.20908357456065 (9.06071e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2090835294053879 (2.15968e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 0.2090835264202497 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060448 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751922 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708316 (2.08556e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2090835261706046 (1.08588e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705099 (4.52806e-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: 0.004396677017211914 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886063 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837789 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046524 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630085 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068837 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810976 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596138 (0.0017462% change) linmin: converged after 14 iterations. iteration 12: trace = 0.2014078549180834 (0.000446278% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2014061973776621 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838685192 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218137718 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010267281 (1.0321e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2014046853811636 (7.76822e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2014046607647911 (1.22223e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2014046519840341 (4.35976e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.2014046509571271 (5.09873e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 0.201404650782628 (8.66411e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2014046504701466 (1.55151e-07% change) linmin: converged after 24 iterations. iteration 23: trace = 0.2014046502170883 (1.25647e-07% change) linmin: converged after 12 iterations. iteration 24: trace = 0.201404650174863 (2.09654e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 0.2014046501695736 (2.62627e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.2014046501670944 (1.23096e-09% change) large trace change predicted (2.5428e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.201404650161976 (2.54133e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 0.2014046501601651 (8.99114e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599528 (1.05425e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 0.2014046501599139 (1.93347e-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: 0.015113115310668945 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853602696 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.187932965403088 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162403 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599349 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411789 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1879007301109863 (1.24012e-06% change) linmin: converged after 13 iterations. iteration 7: trace = 0.1879007300208399 (4.79755e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1879007300173994 (1.831e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173177 (4.35018e-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: 0.00474858283996582 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204473955 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.176867633415328 (0.125996% change) linmin: converged after 4 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 = 0.1768571846110664 (5.14265e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1768571842635598 (1.9649e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1768571842571172 (3.64287e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1768571842568873 (1.29944e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1768571842568802 (4.04899e-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: 0.004724025726318359 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 = 0.1701632888796341 (0.00405164% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1701630475985812 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206584 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28408e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1701630436771916 (1.47057e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.170163043677122 (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: 0.004250288009643555 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068122 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333089 (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 2 iterations. iteration 5: trace = 0.167954201880074 (1.66458e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1679542017770078 (6.13657e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.167954201774932 (1.23591e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1679542017748686 (3.77942e-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: 0.0042498111724853516 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940614 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082772 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1727422906716331 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861118 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682354 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677769 (2.65437e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1727422479677606 (9.46383e-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: 0.004242897033691406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524435 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1859938669738664 (0.00204807% change) linmin: converged after 19 iterations. iteration 4: trace = 0.1859937714047323 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390203 (2.94232e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1859937688378917 (6.06823e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1859937688378513 (2.16829e-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: 0.004264354705810547 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787785 (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 = 0.2041420414998278 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330258 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2041420413291271 (1.9098e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289724 (7.57581e-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: 0.004269123077392578 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 = 0.2207589339831464 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306991 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069986 (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 = 0.2207583578975027 (6.60147e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967374 (3.46671e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.00981e-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: 0.004713773727416992 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2286358930851744 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636124 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2277123246168995 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063265 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.227712284417164 (4.34391e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.227712284386013 (1.368e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2277122843842669 (7.66802e-10% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2277122843842428 (1.05799e-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: 0.004728555679321289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707298 (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 = 0.21946331464528 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 5 iterations. iteration 9: trace = 0.2194627106479068 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688222 (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 = 0.2194624955509947 (5.35736e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026467 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.21946249550052 (9.69019e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2194624955004418 (3.56774e-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: 0.008608102798461914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646439 (1.03552e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2042021396248772 (4.90408e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245605 (1.55114e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (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: 0.0047206878662109375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193464 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458177 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392235 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1959313854311262 (3.27123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1959313854307267 (2.03891e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1959313854307186 (4.13646e-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: 0.004731893539428711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724113 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.200826490458241 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842622 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565632 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968736 (6.97596e-05% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2007748486133251 (2.88061e-06% change) linmin: converged after 18 iterations. iteration 7: trace = 0.2007748484344857 (8.90746e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304177 (2.02616e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.2007748484302034 (1.06765e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.2007748484301815 (1.08658e-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: 0.005234241485595703 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222553 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500307 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365137 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542952 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 5 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 = 0.2090835123374098 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673798 (3.34938e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835122583802 (4.30429e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572214 (5.54226e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571492 (3.45412e-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: 0.003250598907470703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% total elapsed time for run: 0.0876927375793457 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: 0.0015764236450195312 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 = 0.4343181010737096 (198.885% change) linmin: converged after 10 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 8 iterations. iteration 4: trace = 0.1336076174223923 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030186226 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124266258 (0.0253156% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772349639 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685219587 (0.000609643% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640372008 (0.00015415% change) linmin: converged after 5 iterations. iteration 10: trace = 0.132652933776196 (2.28122e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.1326529311517175 (1.97845e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529297895745 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923156 (7.33183e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 0.1326529296662337 (1.96618e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624064 (2.8852e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621593 (1.86261e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620272 (9.96166e-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: 0.004628658294677734 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952345748 (5.99259% change) linmin: converged after 8 iterations. iteration 2: trace = 0.1318813366874341 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680470923077 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043076221041 (1.97841% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263881412687 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322441814143 (0.0737925% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1275021779741062 (0.0235782% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865964471 (0.0476116% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300391561 (0.0231165% change) linmin: converged after 4 iterations. iteration 10: trace = 0.127409384942529 (0.00207604% change) linmin: converged after 4 iterations. iteration 11: trace = 0.127409008275602 (0.000295636% change) linmin: converged after 5 iterations. iteration 12: trace = 0.1274085198437589 (0.000383358% change) linmin: converged after 5 iterations. iteration 13: trace = 0.1274080628431376 (0.00035869% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683518 (6.55962e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.1274079726496691 (5.19487e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698066937 (2.2314e-06% change) linmin: converged after 12 iterations. iteration 17: trace = 0.1274079642225557 (4.38288e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1274079624507169 (1.39068e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.127407962318043 (1.04133e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.1274079622925221 (2.00308e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1274079622440875 (3.80154e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155688 (2.23838e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.1274079622132367 (1.83038e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 0.1274079622129682 (2.10812e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.1274079622125828 (3.0246e-10% change) linmin: converged after 21 iterations. iteration 26: trace = 0.1274079622122124 (2.9074e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.1274079622121579 (4.272e-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: 0.013495683670043945 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698992929 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382666 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343674 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 17 iterations. iteration 5: trace = 0.1169623892439101 (3.38126e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1169623869324879 (6.70185e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1169623869302094 (1.94808e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1169623869301468 (5.35594e-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: 0.00475621223449707 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330979 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 3 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 2 iterations. iteration 6: trace = 0.1074794489996316 (1.88811e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.10747944899274 (6.41203e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1074794489925577 (1.69613e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1074794489925547 (2.82774e-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: 0.004727840423583984 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.101413708350161 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944227 (0.0693375% change) linmin: converged after 5 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.101340128149123 (3.84344e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478893 (1.21745e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1013401281478576 (3.11955e-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: 0.004259347915649414 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312489 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.0992475255606603 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477763 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840848 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.0992454023723215 (1.04396e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.09924540235031681 (2.2172e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.09924540234966142 (6.60376e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.09924540234965111 (1.03896e-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: 0.004239559173583984 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.102374875635537 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883403 (0.000682118% change) linmin: converged after 21 iterations. iteration 4: trace = 0.102344111854088 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170789 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.102344111210816 (6.11943e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1023441112106435 (1.68631e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004265308380126953 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369512 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294544 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817411 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 12 iterations. iteration 5: trace = 0.1111004875283869 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048887 (2.11504e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044872 (3.61458e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.111100487504477 (9.10609e-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: 0.004246711730957031 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 = 0.1236602488077914 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291922 (0.00389598% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1236552585512288 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722957 (6.38332e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02949e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1236552584709827 (3.22997e-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: 0.004230976104736328 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1365861283694587 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) linmin: converged after 3 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747934 (5.0038e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747792 (1.04475e-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: 0.004718780517578125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617778 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.141582779194314 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312478 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22796e-09% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1415827248187514 (3.31304e-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: 0.00475764274597168 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1391285125980508 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816253 (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 = 0.1372856158281961 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256682 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 8 iterations. iteration 9: trace = 0.1366079217893785 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222035 (0.000652942% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1366069869567214 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853872576 (1.14889e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1366069843523761 (7.57561e-07% change) large trace change predicted (2.51115e-06%) linmin: converged after 16 iterations. iteration 14: trace = 0.1366069809219603 (2.51116e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728949 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486546 (1.77445e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469425 (1.25329e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.13660698014441 (1.85386e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 0.1366069801394008 (3.66686e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387246 (4.94983e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 0.1366069801386999 (1.81235e-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: 0.010523080825805664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330211958 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719536 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472061 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205977 (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 = 0.1283044775632082 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566787 (5.08902e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1283044775564041 (2.14033e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563506 (4.1686e-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: 0.004727363586425781 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759989881 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431211 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028865 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569695 (0.000224639% change) linmin: converged after 3 iterations. iteration 5: trace = 0.125065286813738 (4.03248e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1250652866511766 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05563e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.4756e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.125065286647159 (9.21004e-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: 0.0047168731689453125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754086 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499594 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.128744497849947 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198241 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1287431505713931 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657534 (8.20547e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623984 (2.60597e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.004727840423583984 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581134822 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.133095702821382 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029242 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523272 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658704 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655155 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152224 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.132652945264607 (8.75921e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.1326529452610045 (2.71578e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 0.1326529452608697 (1.01583e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608121 (4.34162e-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: 0.0034945011138916016 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% total elapsed time for run: 0.08840298652648926 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: 0.0011184215545654297 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 = 0.654925390620016 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.309127554574498 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641901 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576722 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397315 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779296 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298258806017678 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982560426838611 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263999 (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 = 0.2982519598579504 (5.91879e-06% change) linmin: converged after 25 iterations. iteration 13: trace = 0.2982519583456513 (5.07054e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2982519560571793 (7.67295e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 0.2982519551981031 (2.88037e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551550084 (1.44491e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2982519551524453 (8.5938e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507783 (5.58923e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.43345e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490028 (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: 0.0053789615631103516 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.296625031537239 (4.81134% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2810412199539083 (5.39544% change) linmin: converged after 12 iterations. iteration 3: trace = 0.279707555950153 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858724529 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788775924 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192272173 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509398 (0.000408587% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2795911968916507 (2.85986e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2795911512747838 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.279591139219289 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567464 (4.15801e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2795911379221784 (4.81303e-08% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2795911378697271 (1.876e-08% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2795911378501715 (6.99437e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480384 (7.62925e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 0.2795911378478675 (6.11119e-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: 0.008188009262084961 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2622850419913114 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441836 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243494 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419112 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623717 (0.000111867% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2611842413682738 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2611842409879023 (1.45633e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2611842409520099 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85697e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2611842409470009 (6.08279e-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: 0.005197048187255859 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2495890152828734 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349513 (0.182086% change) linmin: converged after 4 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 = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2490993774413393 (1.21069e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2490993774400478 (5.18466e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.40394e-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: 0.00474858283996582 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615218 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2424595800284271 (0.125854% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2424461076700272 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513502 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.242445714710256 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82256e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2424457144901445 (2.56238e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.242445714489984 (6.61933e-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: 0.004248857498168945 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2406037838644208 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913600188 (0.104331% change) linmin: converged after 3 iterations. iteration 3: trace = 0.240344605830093 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818102 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.240344272608517 (2.48531e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2403442724382655 (7.08365e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2403442724330159 (2.18423e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329473 (2.85473e-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: 0.004242420196533203 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 = 0.2478153067195067 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.247813601181322 (0.000688232% change) linmin: converged after 11 iterations. iteration 4: trace = 0.2478135705407399 (1.23644e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2478135698495613 (2.78911e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2478135698281643 (8.63432e-09% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2478135698278281 (1.35679e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278215 (2.66564e-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: 0.004267215728759766 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126411 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456906 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479117 (4.25971e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2687921840676185 (9.22755e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2687921840087608 (2.18971e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2687921840070879 (6.2235e-10% change) linmin: converged after 8 iterations. iteration 8: trace = 0.2687921840070472 (1.5138e-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: 0.004233121871948242 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313863 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488108 (0.147789% change) linmin: converged after 16 iterations. iteration 3: trace = 0.2984110530872368 (0.00393619% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2984106728909152 (0.000127407% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2984106621553145 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2984106619110481 (8.18558e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2984106619038377 (2.41627e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2984106619036122 (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: 0.004266977310180664 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3278879623914542 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976842 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3267691490121233 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855296 (1.36875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3267691033363583 (2.90472e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3267691033112136 (7.69497e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3267691033102652 (2.90221e-10% change) linmin: converged after 16 iterations. iteration 9: trace = 0.3267691033102512 (4.28095e-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: 0.00471949577331543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.341094997463101 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905774 (0.0182379% change) linmin: converged after 3 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700712 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176962 (5.75694e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3391341088659967 (1.52446e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3391341088634663 (7.46141e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633693 (2.86121e-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: 0.004712820053100586 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444035 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426137 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.326379624479109 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799803 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.321548530039317 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095878 (0.00701071% change) linmin: converged after 5 iterations. iteration 7: trace = 0.3215240569133013 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989131 (0.00088974% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3215198890578121 (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 = 0.3215197847617492 (9.80857e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3215197841679531 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625632 (3.43802e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 0.321519782785552 (8.61568e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.3215197827696916 (4.93295e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.3215197827690929 (1.86223e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688707 (6.91127e-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: 0.008579492568969727 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2914724979423963 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397658 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380552 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217772 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190731 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741393 (1.54879e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2901214013724242 (5.91176e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2901214013723645 (2.05688e-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: 0.0047283172607421875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778212 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369415 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276491 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.27086079023786 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884341 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.270860725965226 (7.46955e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2708607258906749 (2.75238e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2708607258855506 (1.89185e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2708607258851873 (1.34115e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005200386047363281 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374121149 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722729 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629709 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.275094368246518 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818913 (1.68897e-07% change) linmin: converged after 31 iterations. iteration 8: trace = 0.2750943677030428 (2.86623e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2750943676888271 (5.16759e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2750943676881245 (2.55385e-10% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2750943676881151 (3.41024e-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: 0.0057086944580078125 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.3063507184999051 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400187919 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850148023 (1.40606% change) linmin: converged after 7 iterations. iteration 4: trace = 0.2982983429994934 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418700292 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.298256612754651 (0.000646795% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607023324 (0.000989774% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309343616 (0.000546438% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533168 (2.37655e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2982519569354681 (1.04537e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2982519563685623 (1.90076e-07% change) linmin: converged after 9 iterations. iteration 12: trace = 0.2982519553645563 (3.3663e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2982519551600122 (6.8581e-08% change) linmin: converged after 24 iterations. iteration 14: trace = 0.2982519551499704 (3.36689e-09% change) linmin: converged after 9 iterations. iteration 15: trace = 0.2982519551494986 (1.58166e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2982519551492238 (9.21674e-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: 0.0042836666107177734 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% total elapsed time for run: 0.08411669731140137 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: 0.0011587142944335938 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 = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978384 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122446 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.302614189348645 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560045 (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 4 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599989 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421136 (5.91063e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 0.3025956959407095 (4.64018e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.01428e-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: 0.003860950469970703 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3046948505447924 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.301216949397526 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.300937460060279 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030406 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741475 (6.16519e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3009297211602808 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658469 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077821 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020472 (1.90573e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018313 (7.17386e-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: 0.0052492618560791016 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2993772621931771 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981857861 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505741 (0.0709335% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2969599541881717 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822417 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647945 (1.45388e-06% change) linmin: converged after 22 iterations. iteration 7: trace = 0.2969598362065993 (8.69462e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.2969598361844072 (7.47309e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819391 (8.31116e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2969598361818406 (3.31617e-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: 0.005240678787231445 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2938435215784326 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839091663 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.292646710573389 (0.033302% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2926449733559786 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.292644919356301 (1.84523e-05% change) linmin: converged after 11 iterations. iteration 6: trace = 0.2926449176893364 (5.6962e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.292644917585685 (3.54188e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.292644917581024 (1.59273e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.292644917580711 (1.06927e-10% change) linmin: converged after 7 iterations. iteration 10: trace = 0.2926449175807005 (3.60407e-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: 0.005221128463745117 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109317 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297266 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299021 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2895143959258292 (1.3494e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2895143959126513 (4.55171e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2895143959121471 (1.74156e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2895143959121311 (5.52208e-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: 0.004708766937255859 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.288397186365051 (0.140753% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2883890967942881 (0.00280505% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2883886834700362 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569958 (2.25842e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2883886767783876 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738496 (1.57356e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737717 (2.7006e-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: 0.004246711730957031 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 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 17 iterations. iteration 4: trace = 0.2982086207857146 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260263 (3.55351e-07% change) linmin: converged after 15 iterations. iteration 6: trace = 0.2982086196950975 (1.03715e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982086196943686 (2.44413e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943479 (6.96196e-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: 0.004251718521118164 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016535 (0.830279% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3265044430836114 (0.0405224% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3264980604168625 (0.00195487% change) linmin: converged after 11 iterations. iteration 4: trace = 0.326497926658615 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973251 (1.12138e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3264979228246055 (5.29006e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3264979228224313 (6.65934e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223411 (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: 0.004239082336425781 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764001 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296902 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003575 (0.00608219% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3690664377461913 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900566 (5.353e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3690664173327332 (1.78104e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.369066417318338 (3.90042e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.369066417318031 (8.31916e-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: 0.004228830337524414 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601687 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169411 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073967 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643571 (3.3645e-05% change) linmin: converged after 19 iterations. iteration 6: trace = 0.4155448000759103 (7.67293e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4155447999425276 (3.20983e-08% change) linmin: converged after 23 iterations. iteration 8: trace = 0.4155447999216209 (5.03117e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210301 (1.42163e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.4155447999210056 (5.90452e-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: 0.0052263736724853516 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4460423269349527 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.440137635700096 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490917 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759412 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628922 (0.000107525% change) linmin: converged after 6 iterations. iteration 6: trace = 0.4398182203781184 (2.42936e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4398182200041542 (8.5027e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4398182199097641 (2.14612e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058926 (8.80241e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057517 (3.20583e-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: 0.005224704742431641 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940032047 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158862822 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339504996 (1.64035% change) linmin: converged after 6 iterations. iteration 4: trace = 0.4030720876485605 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480361 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470229 (0.0068844% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4024758244070208 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882406 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.4024755044224085 (3.25649e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4024754425634776 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798516 (9.64935e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.4024754384625254 (5.39974e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481786 (3.56464e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 0.4024754384464008 (4.41716e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452963 (2.74414e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447279 (1.41221e-10% change) linmin: converged after 16 iterations. iteration 17: trace = 0.402475438444692 (8.9237e-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: 0.008576154708862305 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271065 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916962 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265372 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3476919224042098 (1.6875e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 0.3476919188690364 (1.01675e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3476919187143111 (4.45007e-08% change) linmin: converged after 16 iterations. iteration 8: trace = 0.3476919187046048 (2.79164e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043944 (6.05256e-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: 0.004739284515380859 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3136744626787956 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681898 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050024 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943587 (0.000937848% change) linmin: converged after 5 iterations. iteration 5: trace = 0.3124701893749382 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944266 (1.04986e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.3124701859365782 (5.05163e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3124701859237753 (4.09729e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3124701859233396 (1.3944e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.312470185923318 (6.91069e-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: 0.005203962326049805 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174376 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553453 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.30144716227416 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917266 (0.00276941% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3014386435309356 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615978 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123749 (8.26778e-08% change) linmin: converged after 15 iterations. iteration 8: trace = 0.3014386377980787 (4.74265e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3014386377957537 (7.71292e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3014386377955973 (5.1913e-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: 0.005211830139160156 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540695 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438351 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071231 (0.161988% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3025983731804751 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516379 (0.000727346% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3025957192638609 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202267 (4.78415e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3025956959692816 (4.98834e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418699 (9.05885e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3025956959407161 (3.81301e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959406542 (2.04547e-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: 0.0032591819763183594 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% total elapsed time for run: 0.08014035224914551 done /tmp/meepfwWQZ2/test_maximize_first_tm_gap-0: 0.34s /tmp/meepfwWQZ2/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: 0.0016031265258789062 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1409924030303955 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42139172554016113 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09228849411010742 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08579587936401367 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09914350509643555 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.1540369987487793 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11620688438415527 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09928512573242188 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08534908294677734 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08199858665466309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08235716819763184 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06484103202819824 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07506871223449707 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10277509689331055 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12021565437316895 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2507002353668213 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.074559211730957 done Fixing e-field (band 8) phase by 2.61271e-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: 0.0016543865203857422 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1405038833618164 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4253826141357422 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0929419994354248 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08622312545776367 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09993863105773926 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15539932250976562 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11716055870056152 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.1000986099243164 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08598542213439941 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08276700973510742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08231616020202637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06533169746398926 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07556819915771484 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10361695289611816 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12093377113342285 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24895811080932617 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.085268020629883 done Fixing e-field (band 8) phase by 2.61271e-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/meepfwWQZ2/test_multiply_bloch_in_mpb_data-0: 4.21s /tmp/meepfwWQZ2/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: 0.0016231536865234375 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14102911949157715 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4211759567260742 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09218859672546387 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08554697036743164 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09917092323303223 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15467381477355957 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11619734764099121 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09916305541992188 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08527398109436035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08212423324584961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08151364326477051 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06473016738891602 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07570075988769531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10258245468139648 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12003898620605469 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24993014335632324 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.073155403137207 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 ./tmp/meepfwWQZ2/test_multiply_bloch_phase-0: 2.08s /tmp/meepfwWQZ2/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: 0.001630544662475586 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14058637619018555 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4212656021118164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09220361709594727 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08562803268432617 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09983325004577637 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15382766723632812 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1159358024597168 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09918642044067383 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08518815040588379 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08199906349182129 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.0815889835357666 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06473994255065918 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07489514350891113 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10255980491638184 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11986851692199707 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2493906021118164 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0708167552948 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepfwWQZ2/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepfwWQZ2/test_output_charge_density-0: 2.08s /tmp/meepfwWQZ2/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: 0.0016248226165771484 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14073753356933594 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, 0.5527092320102558, 0.8567435000049138 Outputting fields to /tmp/meepfwWQZ2/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480435, 0.5288079654921338 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854473, 0.08910010798046349 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.40124649301804716 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258756, 0.4012519910570854 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.0928209317476265, 0.28720566826377647 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42180681228637695 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744274, 0.8445541869972999 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.76159973555864, 0.4427396122966541 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.774682184614493, 0.536749112341897 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409558, 0.3120181983255001 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.3891333928974031 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968462, 0.2776208840057367 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633575, 0.6676492387493533 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09231996536254883 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776014, 0.794273793681514 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676533, 0.30077174113971683 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553598, 0.5586605740288401 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076888, 0.5941655354266827 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364988, 0.35472339076138104 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587057, 0.21322445833844317 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343303, 0.6232654987181568 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08577609062194824 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148872735 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.685449168526309, 0.30054212529308105 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.7833774318115911, 0.5880663066285085 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828623, 0.7295588531246435 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425297, 0.30554099771330806 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879114, 0.24673894372126293 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.096639214965609, 0.5396650770552023 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09899687767028809 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783214, 0.4356739544115278 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809138, 0.4481425123489123 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426055, 0.613901176676964 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942643, 0.7699338908225002 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.0244294608784883, 0.2578911954965593 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285345, 0.33221314071464336 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.091208062115503, 0.4329317404210019 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15415430068969727 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.441588449722544, 0.3584484766510552 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450052, 0.5328472337437873 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895480995, 0.6242704622247064 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.846587869582527, 0.7771267587387292 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650219, 0.23681211415368073 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323594138, 0.5782428829117007 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.087868963505269, 0.37950816222974504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11619949340820312 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037098027, 0.3749021561077718 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378552, 0.5082270947616313 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820271, 0.6251503072235425 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386819, 0.7355775624891373 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182574, 0.18697860294069477 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717464, 0.40777640941204735 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294314, 0.6404816835811383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09929060935974121 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749826, 0.42543224667942553 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475778, 0.43806479968823264 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094475, 0.6230094255521763 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422061, 0.5373015422302753 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792417, 0.3526636498457799 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255503, 0.42073899378393825 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150006, 0.7279717672181147 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08520793914794922 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465532, 0.07946478028057564 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468713, 0.32881162370401207 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.781466869323818, 0.22327322644250844 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502193, 0.6095695047973156 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663711, 0.6540286383396772 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130661, 0.4618905860736039 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214082, 0.761549817160464 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08200812339782715 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598175, 0.0903499596306573 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207214, 0.19597806182936175 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137293, 0.08289042691239858 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258338, 0.577797196952117 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777044, 0.7772986149165845 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709634, 0.5159863025137524 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.111621057536398, 0.7756611032532745 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08164668083190918 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160883, 0.1196586178679453 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117827, 0.11954218308179224 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757012, 0.026633379719919272 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604536, 0.2997497622839807 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666068, 0.8023568424744522 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.881981813442184, 0.8023816357258953 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556937, 0.7797381408708148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06474781036376953 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335804, 0.3658958857200597 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356566, 0.1256061520442118 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476281, 0.11295231544475384 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317921, 0.5738505597977357 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893149, 0.7904020720487933 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990091, 0.48184989547070506 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958845, 0.770610082838527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07491159439086914 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392887, 0.6769327340989405 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500913942 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677109, 0.5562411649880549 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212932, 0.24643500245468974 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160474, 0.7471141728536034 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.0102032173309077, 0.3807469886775263 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865556, 0.7236183032341824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10632181167602539 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208419, 0.776089779274942 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314983, 0.2209621669851284 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516223, 0.5549181091420519 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636716, 0.6405660798575922 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405538, 0.31622629536251884 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408293993, 0.46522856193932866 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.090385645879672, 0.5462861490341253 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12003374099731445 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904063, 0.8350614780723612 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.38702956037312425 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874305, 0.5369475337126824 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928066, 0.39062131308644865 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351244, 0.3640423031892137 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740384, 0.3229108453554062 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1000367447866688, 0.648922709689131 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2503960132598877 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, 0.5527092320101988, 0.8567434642215929 Outputting fields to /tmp/meepfwWQZ2/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.773229883948055, 0.52880796857026 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195855863, 0.08910054416160851 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882837, 0.40124662932457655 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257027, 0.4012520176853139 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317477913, 0.28720537908724586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1500933170318604 done /tmp/meepfwWQZ2/test_output_dpwr_in_objects-0: 2.15s /tmp/meepfwWQZ2/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: 0.0015861988067626953 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 = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-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: 0.16519808769226074 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-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: 0.08179688453674316 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-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: 0.047210693359375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (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 = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-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: 0.04718947410583496 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 = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-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: 0.04733085632324219 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-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: 0.04757356643676758 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (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 = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-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: 0.043880462646484375 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 = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (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 = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (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 = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-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: 0.040340423583984375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (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 = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-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: 0.04374384880065918 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-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: 0.05085134506225586 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-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: 0.0543055534362793 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-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: 0.05763530731201172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 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 = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (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 = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-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: 0.04373741149902344 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 = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-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: 0.043756723403930664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-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: 0.05073237419128418 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (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 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-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: 0.16004443168640137 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 1.0273873805999756 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepfwWQZ2/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepfwWQZ2/test_output_efield_z-0: 1.03s /tmp/meepfwWQZ2/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: 0.0016376972198486328 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14088821411132812 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42082715034484863 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09299397468566895 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08558320999145508 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09903287887573242 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15410423278808594 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11605691909790039 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09923982620239258 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08531522750854492 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08191156387329102 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08159184455871582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06471538543701172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07481718063354492 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10244536399841309 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11986851692199707 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2498488426208496 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.071410894393921 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepfwWQZ2/test_output_field_to_file-0-epsilon.h5... /tmp/meepfwWQZ2/test_output_field_to_file-0: 2.08s /tmp/meepfwWQZ2/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: 0.0016405582427978516 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14077448844909668 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42081761360168457 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09212017059326172 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08560657501220703 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09903454780578613 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15410566329956055 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11614513397216797 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09934282302856445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08523273468017578 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08187270164489746 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.0814809799194336 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06485247611999512 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.0750586986541748 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10255050659179688 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11996197700500488 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24963736534118652 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.070756673812866 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepfwWQZ2/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/meepfwWQZ2/test_output_tot_pwr-0: 2.08s /tmp/meepfwWQZ2/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: 0.036025047302246094 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 10 iterations. iteration 1: trace = 0.9773582023559152 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987914 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418229 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2538047517632827 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485482 (0.506821% change) linmin: converged after 6 iterations. iteration 7: trace = 0.2513324422133415 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456115726 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415015 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292775 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617221 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333104 (0.000308277% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2503350629329604 (0.00025366% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2503346861323353 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388485 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842641583 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 6 iterations. iteration 17: trace = 0.2503200648277941 (0.00500125% change) linmin: converged after 6 iterations. iteration 18: trace = 0.2503038592918309 (0.00647414% change) linmin: converged after 4 iterations. iteration 19: trace = 0.2502978020837006 (0.00241997% change) linmin: converged after 6 iterations. iteration 20: trace = 0.2502965572166734 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707163532 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722228 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253181 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855963 (2.05346e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.250295517062488 (2.48949e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.2502955167761253 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556169 (1.28052e-07% change) linmin: converged after 7 iterations. iteration 28: trace = 0.2502955162302593 (9.00366e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423229 (1.54991e-07% change) large trace change predicted (7.06245e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746271 (7.06243e-07% change) large trace change predicted (1.92422e-06%) linmin: converged after 6 iterations. iteration 31: trace = 0.2502955092582567 (1.92427e-06% change) linmin: converged after 9 iterations. iteration 32: trace = 0.2502955074678324 (7.15324e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409572 (1.30596e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 0.2502955070820929 (2.35179e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452399 (1.47238e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.250295507031224 (5.59974e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289675 (9.01523e-10% change) linmin: converged after 7 iterations. iteration 38: trace = 0.2502955070287157 (1.00623e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.2502955070286879 (1.10891e-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 = 2.764077233898725 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244642872523 (118.359% change) linmin: converged after 14 iterations. iteration 3: trace = 0.5830461806925314 (19.4723% change) linmin: converged after 5 iterations. iteration 4: trace = 0.5699441144512948 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912966595823 (1.72596% change) linmin: converged after 8 iterations. iteration 6: trace = 0.5549770053260779 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217793739742 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881752849213 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197783370126 (0.0485651% change) linmin: converged after 4 iterations. iteration 10: trace = 0.5524120846135634 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402469584 (0.0131694% change) linmin: converged after 6 iterations. iteration 12: trace = 0.5523162607151277 (0.00417859% change) linmin: converged after 6 iterations. iteration 13: trace = 0.5523079347101146 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045774295 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348504931 (0.00012126% change) linmin: converged after 7 iterations. iteration 16: trace = 0.5523044939041413 (2.55197e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 0.552304436370554 (1.0417e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.5523044197504279 (3.00923e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605478 (5.05134e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 0.5523044161634796 (1.44317e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163841 (6.2845e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 0.55230441569158 (2.2597e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 0.5523044156388207 (9.55257e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.5523044156091991 (5.36328e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156003197 (1.60769e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970738 (5.87712e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956438 (2.58909e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.5523044155954007 (4.40226e-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 = 5.040666542909068 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.78473693853849 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333415733299 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080400754 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437353265 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989122437 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867796627 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951039055 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878340769326 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509053679 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866377996372 (0.0235857% change) linmin: converged after 5 iterations. iteration 12: trace = 1.36962780390677 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.369391088062188 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936341475 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043664265 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.368967099875689 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763088875 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565082315 (0.00279041% change) linmin: converged after 4 iterations. iteration 19: trace = 1.368847148201917 (0.00251427% change) linmin: converged after 4 iterations. iteration 20: trace = 1.368816057033324 (0.00227137% change) linmin: converged after 4 iterations. iteration 21: trace = 1.368795335795347 (0.00151382% change) linmin: converged after 4 iterations. iteration 22: trace = 1.368783116278413 (0.000892725% change) linmin: converged after 6 iterations. iteration 23: trace = 1.368774313873091 (0.000643085% change) linmin: converged after 4 iterations. iteration 24: trace = 1.368767027164953 (0.000532354% change) linmin: converged after 6 iterations. iteration 25: trace = 1.368760736431406 (0.000459592% change) linmin: converged after 6 iterations. iteration 26: trace = 1.368755530414332 (0.000380346% change) linmin: converged after 4 iterations. iteration 27: trace = 1.368752119509268 (0.000249198% change) linmin: converged after 9 iterations. iteration 28: trace = 1.368749700077361 (0.000176762% change) linmin: converged after 4 iterations. iteration 29: trace = 1.368747854833705 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521812 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675602 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406366086 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106173446 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.368743978090969 (9.35766e-06% change) linmin: converged after 7 iterations. iteration 35: trace = 1.368743922574735 (4.056e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765814 (1.88559e-06% change) linmin: converged after 18 iterations. iteration 37: trace = 1.368743884092742 (9.25891e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.36874387767489 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873565343 (3.00242e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515612 (2.22812e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 1.368743865625732 (3.57253e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 1.368743856077915 (6.97561e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.3687438374822 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.36874380410724 (2.43836e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762213652 (3.06073e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 1.368743718469775 (3.19591e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 1.368743667117277 (3.7518e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.368743567912476 (7.24787e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 1.368743413514559 (1.12803e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170386393 (1.77629e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.36874290964695 (1.90496e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678093777 (1.69172e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429369796 (1.81717e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 1.368741979819385 (3.28441e-05% change) large trace change predicted (7.746e-05%) linmin: converged after 4 iterations. iteration 55: trace = 1.368740938892184 (7.605e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.368739090056015 (0.000135076% change) linmin: converged after 7 iterations. iteration 57: trace = 1.368737088931255 (0.000146202% change) linmin: converged after 7 iterations. iteration 58: trace = 1.368735675140507 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.368734891368119 (5.72625e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383035294 (3.71389e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.368733869786366 (3.74981e-05% change) linmin: converged after 8 iterations. iteration 62: trace = 1.36873322977382 (4.67595e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612876597 (4.50707e-05% change) linmin: converged after 9 iterations. iteration 64: trace = 1.368732103613244 (3.72069e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.368731784347857 (2.33256e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593542914 (1.39403e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 1.368731481630388 (8.17637e-06% change) linmin: converged after 6 iterations. iteration 68: trace = 1.36873140674677 (5.47102e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346615034 (4.39325e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326392317 (1.47748e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305809781 (1.50377e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 1.368731292682878 (9.59056e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.36873127418859 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246832545 (1.99864e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222075328 (1.80877e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.36873120936438 (9.28666e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 1.36873120497952 (3.2036e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 1.368731202163965 (2.05705e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.36873119954496 (1.91345e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196863351 (1.95919e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 1.368731195122205 (1.27209e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194395566 (5.30885e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038993 (2.60514e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193799064 (1.75293e-08% change) linmin: converged after 3 iterations. iteration 85: trace = 1.368731193445163 (2.58561e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939764 (3.69247e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192446014 (3.60736e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191974353 (3.44597e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.36873119146021 (3.75635e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 1.368731190770239 (5.04095e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.36873118949346 (9.3282e-08% change) linmin: converged after 4 iterations. iteration 92: trace = 1.368731187986773 (1.10079e-07% change) linmin: converged after 6 iterations. iteration 93: trace = 1.36873118608853 (1.38686e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 1.368731183025278 (2.23802e-07% change) linmin: converged after 11 iterations. iteration 95: trace = 1.368731177621037 (3.94836e-07% change) large trace change predicted (9.62641e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164445792 (9.62588e-07% change) large trace change predicted (1.9722e-06%) linmin: converged after 5 iterations. iteration 97: trace = 1.368731137454421 (1.972e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 1.368731113464183 (1.75274e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088552563 (1.82005e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.368731069158598 (1.41693e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 1.368731058835224 (7.5423e-07% change) linmin: converged after 12 iterations. iteration 102: trace = 1.368731053232792 (4.09316e-07% change) linmin: converged after 5 iterations. iteration 103: trace = 1.368731050633556 (1.89901e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.36873104971949 (6.6782e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381487 (2.46946e-08% change) linmin: converged after 13 iterations. iteration 106: trace = 1.368731049212964 (1.23124e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049113038 (7.30065e-09% change) linmin: converged after 6 iterations. iteration 108: trace = 1.368731049042232 (5.17311e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048990504 (3.77926e-09% change) linmin: converged after 8 iterations. iteration 110: trace = 1.368731048950158 (2.94771e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048928328 (1.59488e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 1.368731048916032 (8.98362e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 1.368731048899377 (1.21681e-09% change) linmin: converged after 3 iterations. iteration 114: trace = 1.36873104886784 (2.30409e-09% change) large trace change predicted (6.63168e-09%) linmin: converged after 5 iterations. iteration 115: trace = 1.368731048777066 (6.63202e-09% change) large trace change predicted (2.5378e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429727 (2.53767e-08% change) large trace change predicted (6.62261e-08%) linmin: converged after 9 iterations. iteration 117: trace = 1.36873104752323 (6.6229e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 1.368731045912793 (1.17659e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044216875 (1.23904e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043121761 (8.00095e-08% change) linmin: converged after 8 iterations. iteration 121: trace = 1.368731041992775 (8.24841e-08% change) large trace change predicted (1.95921e-07%) linmin: converged after 6 iterations. iteration 122: trace = 1.368731039311178 (1.95919e-07% change) large trace change predicted (5.71931e-07%) linmin: converged after 7 iterations. iteration 123: trace = 1.368731031485267 (5.71764e-07% change) large trace change predicted (1.36728e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012784502 (1.36628e-06% change) linmin: converged after 7 iterations. iteration 125: trace = 1.368730990367488 (1.6378e-06% change) linmin: converged after 6 iterations. iteration 126: trace = 1.368730976295667 (1.02809e-06% change) linmin: converged after 8 iterations. iteration 127: trace = 1.368730969549118 (4.92905e-07% change) linmin: converged after 4 iterations. iteration 128: trace = 1.368730962810756 (4.92307e-07% change) large trace change predicted (1.03834e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.36873094858594 (1.03927e-06% change) linmin: converged after 5 iterations. iteration 130: trace = 1.368730920081372 (2.08255e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 1.368730882834771 (2.72125e-06% change) linmin: converged after 5 iterations. iteration 132: trace = 1.368730852396679 (2.22382e-06% change) linmin: converged after 8 iterations. iteration 133: trace = 1.368730837551955 (1.08456e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730831452813 (4.45606e-07% change) linmin: converged after 5 iterations. iteration 135: trace = 1.368730827404748 (2.95753e-07% change) linmin: converged after 5 iterations. iteration 136: trace = 1.368730824204463 (2.33814e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822420989 (1.30301e-07% change) linmin: converged after 6 iterations. iteration 138: trace = 1.368730821966607 (3.31974e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821791054 (1.28259e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 1.368730821728621 (4.56139e-09% change) linmin: converged after 9 iterations. iteration 141: trace = 1.368730821654303 (5.42966e-09% change) linmin: converged after 13 iterations. iteration 142: trace = 1.368730821507535 (1.07229e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821260757 (1.80297e-08% change) linmin: converged after 8 iterations. iteration 144: trace = 1.36873082097219 (2.10828e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820756622 (1.57495e-08% change) linmin: converged after 9 iterations. iteration 146: trace = 1.368730820641313 (8.42448e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820552402 (6.49585e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.368730820416918 (9.89858e-09% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820250079 (1.21893e-08% change) linmin: converged after 2 iterations. iteration 150: trace = 1.368730820107939 (1.03848e-08% change) linmin: converged after 5 iterations. iteration 151: trace = 1.368730819983391 (9.09955e-09% change) linmin: converged after 3 iterations. iteration 152: trace = 1.368730819761438 (1.62159e-08% change) large trace change predicted (3.43357e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819291474 (3.43358e-08% change) linmin: converged after 2 iterations. iteration 154: trace = 1.368730818410742 (6.43466e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730816945762 (1.07032e-07% change) linmin: converged after 4 iterations. iteration 156: trace = 1.368730815482099 (1.06936e-07% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730813979739 (1.09763e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811453384 (1.84576e-07% change) linmin: converged after 4 iterations. iteration 159: trace = 1.3687308066838 (3.48468e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730800936166 (4.19924e-07% change) linmin: converged after 7 iterations. iteration 161: trace = 1.368730796569594 (3.19023e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730793701978 (2.09509e-07% change) linmin: converged after 4 iterations. iteration 163: trace = 1.368730792007114 (1.23827e-07% change) linmin: converged after 14 iterations. iteration 164: trace = 1.368730790449825 (1.13776e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.36873078877671 (1.22238e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787185916 (1.16224e-07% change) linmin: converged after 16 iterations. iteration 167: trace = 1.368730786126542 (7.73983e-08% change) linmin: converged after 6 iterations. iteration 168: trace = 1.368730785641953 (3.54042e-08% change) linmin: converged after 5 iterations. iteration 169: trace = 1.368730785492087 (1.09493e-08% change) linmin: converged after 5 iterations. iteration 170: trace = 1.368730785444299 (3.49139e-09% change) linmin: converged after 7 iterations. iteration 171: trace = 1.368730785431242 (9.5399e-10% change) linmin: converged after 3 iterations. iteration 172: trace = 1.368730785427647 (2.62645e-10% change) linmin: converged after 4 iterations. iteration 173: trace = 1.368730785426458 (8.68561e-11% change) Finished solving for bands 21 to 30 after 173 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230107118482454 (192.441% change) linmin: converged after 10 iterations. iteration 2: trace = 2.817364234098258 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772500907462 (16.673% change) linmin: converged after 5 iterations. iteration 4: trace = 2.264181972599633 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266184760897 (2.63638% change) linmin: converged after 8 iterations. iteration 6: trace = 2.183248746384178 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774130834345 (0.275766% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580412369531 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739063083735 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.157022098206512 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362899544595 (0.0769504% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174695745531 (0.055143% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097710199355 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804496012085 (0.0256456% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338213212591 (0.0216717% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061655416888 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823285355223 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656547787734 (0.00775257% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547249174874 (0.00508223% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480112751347 (0.00312188% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447078138262 (0.00153616% change) linmin: converged after 6 iterations. iteration 24: trace = 2.150426792532528 (0.000943325% change) linmin: converged after 5 iterations. iteration 25: trace = 2.150415528122599 (0.000523823% change) linmin: converged after 4 iterations. iteration 26: trace = 2.150409798893993 (0.000266425% change) linmin: converged after 4 iterations. iteration 27: trace = 2.150405289612995 (0.000209694% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402141190848 (0.000146411% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399522462378 (0.000121779% change) linmin: converged after 6 iterations. iteration 30: trace = 2.15039665038708 (0.00013356% change) linmin: converged after 5 iterations. iteration 31: trace = 2.150393099657722 (0.00016512% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387655108852 (0.000253189% change) linmin: converged after 5 iterations. iteration 33: trace = 2.150380791558313 (0.000319178% change) linmin: converged after 6 iterations. iteration 34: trace = 2.150373779754988 (0.000326073% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366764597099 (0.00032623% change) linmin: converged after 7 iterations. iteration 36: trace = 2.150359397062003 (0.000342618% change) linmin: converged after 5 iterations. iteration 37: trace = 2.150351903688224 (0.000348471% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144581451 (0.000407334% change) linmin: converged after 6 iterations. iteration 39: trace = 2.150335244515378 (0.000367387% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828223113 (0.000298386% change) linmin: converged after 5 iterations. iteration 41: trace = 2.150323123442618 (0.000265298% change) linmin: converged after 5 iterations. iteration 42: trace = 2.150319840871887 (0.000152655% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369712293 (0.000114921% change) linmin: converged after 10 iterations. iteration 44: trace = 2.150315485749122 (8.76133e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485103233 (4.65349e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850325438 (2.95202e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567748734 (1.31412e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402389934 (7.68999e-06% change) linmin: converged after 7 iterations. iteration 49: trace = 2.150313290594287 (5.19904e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 2.150313233313265 (2.66385e-06% change) linmin: converged after 10 iterations. iteration 51: trace = 2.150313205104854 (1.31183e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 2.150313191064191 (6.52959e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156568 (3.67743e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178006574 (2.395e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.150313174684764 (1.5448e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172987224 (7.89439e-08% change) linmin: converged after 21 iterations. iteration 57: trace = 2.150313171840691 (5.33193e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 2.150313171039512 (3.72587e-08% change) linmin: converged after 13 iterations. iteration 59: trace = 2.150313170619235 (1.95449e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 2.15031317031079 (1.43442e-08% change) linmin: converged after 3 iterations. iteration 61: trace = 2.150313170079609 (1.0751e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 2.150313169877512 (9.39851e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 2.150313169681881 (9.09777e-09% change) linmin: converged after 2 iterations. iteration 64: trace = 2.150313169527683 (7.17098e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349942 (8.26582e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.150313169165071 (8.59741e-09% change) linmin: converged after 11 iterations. iteration 67: trace = 2.150313168972158 (8.97138e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 2.150313168727332 (1.13856e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 2.150313168488646 (1.11001e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 2.150313168384446 (4.84579e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 2.150313168200573 (8.55098e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 2.150313168068241 (6.1541e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167955788 (5.22962e-09% change) linmin: converged after 3 iterations. iteration 74: trace = 2.150313167849613 (4.93761e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167775622 (3.44096e-09% change) linmin: converged after 3 iterations. iteration 76: trace = 2.150313167691678 (3.90378e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167607472 (3.91603e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537983 (3.23157e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462588 (3.5062e-09% change) linmin: converged after 6 iterations. iteration 80: trace = 2.150313167392504 (3.25928e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167303481 (4.13996e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.150313167175205 (5.96546e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167058008 (5.45023e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.150313166920491 (6.39521e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761648 (7.38698e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166661039 (4.67882e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 2.150313166582913 (3.63324e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 2.150313166516767 (3.0761e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 2.150313166476436 (1.87558e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 2.150313166453959 (1.04532e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166443228 (4.99022e-10% change) linmin: converged after 2 iterations. iteration 92: trace = 2.150313166437208 (2.79963e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432881 (2.01236e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 2.15031316643078 (9.7706e-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 13 iterations. iteration 1: trace = 8.545615064988477 (191.103% change) linmin: converged after 8 iterations. iteration 2: trace = 3.261177020959319 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.735430573200602 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623175177841 (5.09114% change) linmin: converged after 6 iterations. iteration 5: trace = 2.527777768730765 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.486971986894361 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814644263359 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458530008747287 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010604792638 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.446951935961674 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000264878866 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801958902615 (0.0900244% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651917245068 (0.0471285% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794386046162 (0.0351559% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022815245383 (0.0316424% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314214162286 (0.0290688% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427434786529 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606064883372 (0.0337177% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080522313934 (0.0215798% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730903992929 (0.0143586% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515489420207 (0.00884796% change) linmin: converged after 4 iterations. iteration 22: trace = 2.43439015648767 (0.0051483% change) linmin: converged after 4 iterations. iteration 23: trace = 2.43428994212513 (0.0041167% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215166715971 (0.0030718% change) linmin: converged after 4 iterations. iteration 25: trace = 2.43415114845797 (0.00262997% change) linmin: converged after 4 iterations. iteration 26: trace = 2.434099388359072 (0.00212644% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069520683534 (0.00122706% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894177866 (0.00072416% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040920660008 (0.000450834% change) linmin: converged after 6 iterations. iteration 30: trace = 2.434034872116067 (0.000248498% change) linmin: converged after 5 iterations. iteration 31: trace = 2.434031134496718 (0.000153557% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967612021 (8.90246e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725302496 (5.10392e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.43402688652064 (3.44607e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138650661 (3.07256e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450920533 (2.82548e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951043302 (2.05371e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674066367 (1.13794e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 2.434024546234764 (5.25186e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 2.434024472708239 (3.02078e-06% change) linmin: converged after 16 iterations. iteration 41: trace = 2.434024422641628 (2.05695e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 2.434024388298194 (1.41097e-06% change) linmin: converged after 10 iterations. iteration 43: trace = 2.434024363245127 (1.02929e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345052513 (7.47429e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334362809 (4.39178e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.434024326947982 (3.04632e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899082 (2.48514e-07% change) linmin: converged after 3 iterations. iteration 48: trace = 2.434024317216461 (1.51298e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315166989 (8.4201e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314138627 (4.22495e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 2.434024313589964 (2.25414e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 2.434024313234834 (1.45902e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 2.434024312971761 (1.08082e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 2.434024312719699 (1.03558e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512227 (8.5238e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381284 (5.3797e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 2.434024312305171 (3.12702e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 2.434024312262395 (1.75746e-09% change) linmin: converged after 3 iterations. iteration 59: trace = 2.434024312237022 (1.04241e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222581 (5.93293e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 2.434024312214297 (3.40325e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.434024312207981 (2.59518e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 2.434024312203503 (1.83983e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200226 (1.3463e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.43402431219786 (9.72097e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 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: 26.506898164749146 total elapsed time for run: 26.543808698654175 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 Outputting fields to /tmp/meepfwWQZ2/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-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: 0.008310317993164062 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 = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6817684173583984 total elapsed time for run: 0.6901240348815918 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: 0.007864952087402344 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 = 0.01328122170995288 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457405 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086796818 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626904427 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179229986 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587005606 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074288811468 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132154459401 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130034245163 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074076753708 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651728526609 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327272549105 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846078502427 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117071751302 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744039794545 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992981427055 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764799996424932 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187534217772 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578157400684 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994946991959 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329229171359 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389220625037 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565543765488 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783450624604 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164718433416 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836559016622 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194880055023 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126409742107 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039548972224 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940874466725 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00287790019864879 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.00279005197924929 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730318326212 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677837753724 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.00248945876162997 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426024097082 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940783491591 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482755466235 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811873448058 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048306585877 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320503230887 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707939607964 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450543014121 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503966194583 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689301895505 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618396352 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457371729 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456497929135 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847932791 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207648412414 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178973218 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986365268907 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486943981002 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112375152226 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292854382175 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332548683566 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6801152229309082 total elapsed time for run: 0.6880145072937012 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: 0.008070945739746094 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 = 0.0132524793511198 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0130986458522337 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769834863 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084975079 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01048323620427258 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.0102424409902169 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181311703 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250368119 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950457948647 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259877944545 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457250036 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656497442 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390759872 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189640433 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928752244 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120393703 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386184279 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985830843 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255178259254 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864075008 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463099257 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666980901 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414011269 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458877895238 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846779652 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766091017 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.0055155938555738 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369324857 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746813334 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747026946 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249525102 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268194269 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235690561 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278624719 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935392051 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815743333 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311781543 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878599148 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839140814 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172401122 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230763979 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631580035 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509322144 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759081667 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770868018 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282992321 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192139758 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141846617 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305231855 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782118358 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930963744 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163560864 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800609 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304593916 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076669668 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750484081 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791960272 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.00332883211888491 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826950451 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405489377 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088477782 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.003163328889122289 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524609273 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020039705 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288078289 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611726987 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980376817 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.00304485318345138 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00304064555406241 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913821156 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667379479 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581972786 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966708699 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927255687 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245945158 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.00265471166395599 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953155029615 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905893 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908528192 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.00260285295116619 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623663725 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326043291 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650579867 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307084016676 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518380171 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691425381 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579229 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250769216 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.00251296899881016 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603723 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225728507 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010873554 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897776792 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003718072 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872151304 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456929799 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465741872 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438862831 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946618368 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091239039 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845140008857 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132729022 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759987037 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103136433 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.00208978615307305 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927081060265 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299239504 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753069079603 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461273639 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622915411303 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314458371 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692270596 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220944052 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715856173 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654854694 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076237050774 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712281078687 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375464254878 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295879501 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912417611 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779680649 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562248807 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449980023 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137955979 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212232295983 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093844371 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.00186792318825518 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513872030575 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211892145 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854629947 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517242709 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026902180305 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623959848 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.00183376147018975 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786144484 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047423666 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235935099906 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787630365 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978815236 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066200929 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503995081 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519153915 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963162303 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0018025281290564 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730660552 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790925785 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061939286 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044738919 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0017965541244585 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681916063 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193852691 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.0017955379464277 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519503 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452727127 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864493 (0.000750034% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735659 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873286 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886529 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309854317 (0.000465478% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965312974 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401347 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761273383 (8.66303e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816996 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150943 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519493 (5.71725e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380443 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608933502 (7.55074e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836154 (1.84151e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637419 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633504466 (1.92262e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048418 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024777415 (9.51625e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859962 (1.73203e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576212 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189145246 (1.59562e-05% change) large trace change predicted (4.80672e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617458 (4.80735e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167914 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257128391 (2.45331e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147805 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910977 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.0017951037535781 (8.54173e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903727 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259897 (2.87693e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068009 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523468026 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 0.7987971305847168 total elapsed time for run: 0.8069024085998535 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: 0.00800633430480957 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114184657882724 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937402 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01023471071196789 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075714865 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094119836 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877247287 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.00866446695717939 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378830409 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00740758423591588 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721433702 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156717638 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995878973 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684017634 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447179532 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896288347 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160559399 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706280261 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734002537 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104531706 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513799384 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950173305 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941072207 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782538215 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.00316719165356456 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773809876 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198364384 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00257888861094957 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356288463 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133013872 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966297052935 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00230952225688578 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017512322 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304810562 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001869572230018964 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068869821 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323899581 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179786818 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763097633 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377056206 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965221875 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215156962916 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776484534 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335513 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473435619 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093908501 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973057045 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326814554 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853670223 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593560836 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360760188 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293563167 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054991738 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863390343 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870888203 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860413082 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208781389 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235985355 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359723673 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487716534 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286258534 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688690072 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.00113098511869201 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418166274 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081984796 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130405109 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902352011 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.00109985764296582 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579151795 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041036904 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944153 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706009769 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061312677 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488237998 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724638215 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831575824 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532943453 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941722735 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482021609 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956332927 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472237663 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028338295 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945944 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568588497 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029376 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446434241 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877263584 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600265862 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096659732 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662723504 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342183289 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219091711 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448650391 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000976685423184101 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907699708 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.0009747603385530539 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131746295 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646618353 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0009739030579464571 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114917995 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111499278 (0.00192062% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097387 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524759811823 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974930681 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422981667072 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0009727738508667301 (0.00703605% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318780947 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085115 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.000972652788100856 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459000982743 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782570221 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550669275 (0.00043421% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456031 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477185902434 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835521 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398552108 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314135625 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987532097 (0.000651181% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150284 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886734 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760901 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967827628 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731552 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173627 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963283687 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982548 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290424 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832429 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010355564 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807183 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509303127 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443926 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331301186 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776645 (6.86045e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291662 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040578 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322678876 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561631 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352126 (3.41618e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585543 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.000972459650211416 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 0.6167988777160645 total elapsed time for run: 0.6248388290405273 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: 0.007992267608642578 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 = 0.01396244070952 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514248 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.0131293893823858 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355348 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955219 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352510294 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413979776 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371257093 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891971312 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764865695 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851833582 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675902091234 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650039604 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944034019 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126198728 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286211165 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313957203 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857964777 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983516382 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288217489 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182198492 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500164921 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282977529 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002642331733109301 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567296367 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244822608 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035550776 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953470738 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188514256 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133717624 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.001692171162079923 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949295193 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252322982 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418586345 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430383476 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459233489 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343185326 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477416706 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240507967 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837678978412 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208429826 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884322843 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032308202 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031014585 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826396069 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255416237 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945719087 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163351396 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357448248 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183553205 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687859413 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936463082 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203004086 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544456774 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783084 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158638193 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439271515 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000584999189852645 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421320456 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312929826 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095208225 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745383402 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646077653 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954724528 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140712973 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221285828 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688545946 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127305461 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680208836 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907333682 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368370328 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.000511608216276014 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581589 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830389853 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305169946 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630958849 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004610867968616982 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611165299 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524354 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054383692 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246070159 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945087943 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789180884 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710491528 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812387 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239678319 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667574598 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248477418 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906056 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746356611 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171318294 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589956872 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856061341 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542244 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673611256 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986457235 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806051777 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303385 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905857432 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.0004437432255006679 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983482 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.000443656704665559 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975620899 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000443596595424909 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010882656 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585284 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515570951 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167245 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0004434714731012338 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151230344 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055763201 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132256 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924350159 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981872072 (0.00130674% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803079899 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054671 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721778282 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989790834 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004433937107530678 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247387 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351566106 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465956 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293131 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476687 (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: 0.5562703609466553 total elapsed time for run: 0.5642948150634766 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: 0.007958650588989258 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 = 0.01313921802708361 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553266 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607493082 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370443547 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309330053 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971077283768 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280225186 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313486501 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329332547 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189450767 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947690497 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163447735 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769472903 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245604592 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611878811 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994044893297 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898350157841 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634746582 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708253777 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469704832 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922505572 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886136103 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177918705 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324685609 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221273504 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107366163 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509122882 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398965061 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936099284 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147047012 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683030569 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993311022 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904242548188 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641508177 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358344507 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863323182 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515989721 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606828225 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867285795 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836859725 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302646228 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275704825 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727051532 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005827625 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.00110859569902975 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372108893 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259085611 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911355253 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932451903935 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198763121587 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290240061 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068768647573 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000930962073371916 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277477792 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740520585527 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234266234 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000871693071466451 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145308695 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080001816 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283020192667 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553908193 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094771208 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513437934 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661539716 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891788135 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029169372 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591574285 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272537656 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.000794190965401303 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265299957 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069306927 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868584082 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743112499 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045869264 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899939187 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000728644102354961 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406317841 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000718077187500906 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846879655 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296068739 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404422598 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071703376 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000712662076958642 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716358145 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832196567 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335649579 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747960747 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344343849 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515805088 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024921158 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993797611 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428688 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075466887 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437309847 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274637296 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363022342 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.000706140318493618 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000706095099610728 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330946713 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630741 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581192479 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514747325 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475522372 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000705648336961321 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182104818 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329035974612 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515591156 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743522219 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128185 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644731049 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849887 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0007054065895959976 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952447704 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001434995 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220366 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.000705380435396726 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369695 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742080981112 (0.000113435% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075282 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218474 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.000705365103599717 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000705365060349489 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.000705363032831463 (5.34146e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 0.5974225997924805 total elapsed time for run: 0.6054139137268066 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: 0.007972955703735352 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 = 0.01327684595598249 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005125724 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159436247 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476739567 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006982954 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896506772561 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869821944279 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806986723392 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008325902736362793 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435668898778 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983819601372 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948102592079 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586514291060854 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827790274 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859069506 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992560398251 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633266784209 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501597863202 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260304068634 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354748756 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914038384 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308932284200158 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506789923117 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327275611987 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641017994111 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243839982068261 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628118501227 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575621425 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00190744712172359 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521982554 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002882612 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013250786 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00162157241635545 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837305204811 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181622609916 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950679983 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631723321 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578855174 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224371966 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930559096441 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334915742 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277760946 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633724335882 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499847442413 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091629092011 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624950684855 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888832388871 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178081785649 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349714469041 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172098281029 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476375286576 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683320960094 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462970293 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739505908216725 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230470808 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725309782331 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056184775189 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685871829858 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613935993 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006737065008860163 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597907799842 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089490420431 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390349978 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061633615 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331174397599 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167037102374 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591854515 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581896288 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571732264831 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007288117 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141758252813 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678293295 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759405356759 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970390575 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308099269 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027656716 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566908716946 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268681292 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479425287 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447938003187 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577309775 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675313521 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805239931 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043171835 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586181073 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005475762673197047 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173774945857 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549642727 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000546875384289591 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535788506 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402125763122 (0.0275993% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841279952 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909287778 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918828333 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720489816 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144224826 (0.098228% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851037333 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922351673 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368040438 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787471159 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544394643 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780747022 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183271093 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567639252 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274737952 (0.000723036% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837246235 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425933261 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431488091 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628367583 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426651576 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739019 (0.000905112% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163624255 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746705343 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.000543206035379607 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747121 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785126204 (0.00083495% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005431979264061089 (0.000212097% change) large trace change predicted (0.000723264%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976693067 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389550877 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971846128 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783292 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310989704 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.000543182695996188 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431795216108391 (0.000584406% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633859 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781329483 (2.1343e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.000543177470279114 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353972532 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155095 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489163 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.000543176604226685 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741614099 (5.53508e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343488 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041036 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.000543176234677511 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598218 (3.63007e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117660984 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543176108261459 (6.45212e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 0.5876305103302002 total elapsed time for run: 0.5956475734710693 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: 0.007967710494995117 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 = 0.01327637332042482 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226433 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114262646608427 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105778426814247 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01013639857555772 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209514276 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416124102 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991395282 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844160287 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845411724 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279331015 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864490118 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791934243 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295089338 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249097797 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950872016 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00454821626307008 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626848155 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661184533 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003401441414579496 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500870931 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866362605 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419534281 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702040715 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508290575 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055495985 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058566574 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440863474 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958935488 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503170069 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549753952 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473819884 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00173780035932814 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627719343 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809877337 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783728522 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415227613 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134873148 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642656029 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764719755 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105177768 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562989852 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.00108743367114814 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521884282 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035013724 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468268955 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009665939687700462 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303358663 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733055747 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069755231 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495180147 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129427833 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700076778 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326929656 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473208021 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.000814772592137432 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000790079348502702 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750144772 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000772667468305976 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901889924 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368877253 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165921 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134007473 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599744119 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013479041 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691332926 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608906345 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341157817 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384218669 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.000705411533580544 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508285004786 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006893877837385344 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879499206 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973036735 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496927666 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708276554 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424076794 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415589562 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962219 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858427757 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099556 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957666 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372126 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416292021 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513807541 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0006288999747737499 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921858 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812703783 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.000626904802743337 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995434704 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312007239 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788694509 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450392 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225647274 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954456881 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073482931 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428375 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162112551 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433756 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429819745 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170757117 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387217271 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226067 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340010048 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011318 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679885372 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541319 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857191 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266605454 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523970991 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706663 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607942054 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965006 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784983962 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212109 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514363969 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031520221 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099845 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208742 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673057 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128384 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.000623668112285246 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265661 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374821 (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: 0.5917050838470459 total elapsed time for run: 0.599705696105957 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: 0.008005142211914062 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 = 0.01396271777714665 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137829 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767425 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114310737506249 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175360215 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401418842 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337045219 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068470463845 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042058719481 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268486439636 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915031937615 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447359053197 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462501839149 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450963307 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963925043872 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692920852 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060778521356 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220512570115 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098355360906 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995507452 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517110205123 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486287238 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917318553374 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865140863 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905416928298 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00267421825470026 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970621319509 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418944010795 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181200037266 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595895339 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621447166 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099988268 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904567996 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158599355 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365710188078 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514930319 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.0012556059370911 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429554499 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348343456 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00111623508604669 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601416226 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102323885 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228335185 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876537371946072 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331997483407 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902455256912 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432717368889 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702053511236 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905685662359 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007599205427 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806225007862 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799742166 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281851118769 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606118040261 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151306663 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922588109 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.000721826536302999 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561882555626 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156206211374 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084080539918 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129753939 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000659999290976045 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270981244 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806263591 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458213069393 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507865772 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481801294535 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894910059 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645473944 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697264652 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209966898 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342490959136 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651693376 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484401947215 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758180866 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612735800872 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099694987 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156809985814 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269179165 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400616087157 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191087428 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941088286 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430655318 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322695059 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491229925 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627374394 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547972498211812 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292061455 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724161047 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511647959 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420903345 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204693934086 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963198951 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958192028 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826597424 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594185627 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038603798 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809478326 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544170867685768 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011641659 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807565414 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863450129 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184851628 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728337337 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475057928 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330668095 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437526970877011 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115470904 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.000543688328493036 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146804 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.00054363130372977 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436282233598913 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343019083 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184242 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893744547 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667062 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.000543594933324994 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529551 (0.000349263% change) large trace change predicted (0.000866591%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240475034 (0.000866591% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213428 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266276365 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347921 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733245793 (0.000227807% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970969 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134200393 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292077 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678652137 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624793 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178691449 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625699 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520626 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059902 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106299 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094334 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337781 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024276 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516353 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298028 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5856597423553467 total elapsed time for run: 0.5936994552612305 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: 0.007959604263305664 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 = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921864 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012368 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057459146038807 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991919842 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715104675 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559982406 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170773477 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806984713 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947359914 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051118198 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647885593 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498667323 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701259074 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.00542915674068223 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00462372693095089 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645932768 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849632186 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339124114 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666278235 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987446408762 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00314982060656463 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511884366 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695460437 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993166675 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.002495418664496883 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746205806 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888828935 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598319965 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636066098 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206447007 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401512005148 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569925202 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819033191 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759981668 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106703467459 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074265553 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812802924694 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511296505 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462053277 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570891938 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563326055 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673686842 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945525174 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947539342 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438164371 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664933519 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672092436 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364123718 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919924192 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200236034 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557841493 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670326581 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773241424 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256423189 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831536453 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853736877 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000731594649767336 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507413517 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122429648 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977544306 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006952825340017957 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539889768 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462269423 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673890201 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099812602 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107596441 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441643413 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006658947663877523 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964759419 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374261565 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470281733 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969050647 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970267538 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312609199 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006040729522164058 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759961156 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756234991 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000593647881223189 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237799742 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.000592518607001844 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005919600556578774 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538772 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208142 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666241407 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655243 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.000587569365086246 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005875433052722403 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124828409 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877185 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425553004 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195073 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619595278 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774476 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491605 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989222952 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976178954 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166806495 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581987 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924219864 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979406952 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464612 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.000583726932305367 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225391 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732084 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709771 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284385 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005835489435572247 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011185 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943974092 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719814 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550791468 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777843 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858522 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081685 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901089617 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000583441446165331 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433658235 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958088984 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253827 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646651 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383110733 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106231 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465848 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666898 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834235029711476 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229492303545 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993078005 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917433 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355913 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461943 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223624832958 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450235 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629352 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221953899264 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 0.5837194919586182 total elapsed time for run: 0.5917108058929443 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: 0.007964134216308594 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 = 0.01327684378988528 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801728 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114310737308697 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177200982 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408593921 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404126304 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608163036 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221165283 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739311454 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363770582 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679694962 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857671457 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909895473 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406057297 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169274026 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210045908 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918380629 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767612032 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430727341 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527286905 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899224521 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991772837575 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266665605 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816025316 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653085053 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418743 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826680963 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00193318158311731 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976137667 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992973156 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476481009 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286594126 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538409911 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074187846 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884078498 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316206344 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805808864 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709326486 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433343584 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949637508 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450367125 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0010508335736839 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751538392 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328938907 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772437036 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603222431 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371183844 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944664722 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810677078 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420144406 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983125679 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021321849 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270916269 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294992785 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060435879 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493139755 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988941883 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288480387 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151884058 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190331585 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939844149 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268069289 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794213274 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201506114 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505253159 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776235052 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834500561 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575952774 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000622982362698102 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313364607 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730932953 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710813 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801432047 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597027652 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393463743 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884744027 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234418684 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060502308 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786522688 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946543649 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163977794 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191544412 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985994832 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231184597 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396890583 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715172771 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960302266 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468642161 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.00054728002903556 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158370557 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310181135 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697906501 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750565977 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276674 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125144657 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.000544635377254154 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544128046 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389171624 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712541294 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539105394 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592213788 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770141 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442100647 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691164 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000543837005801703 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.00054375296955855 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838184973 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592874 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056603181 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751932743 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862489 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070741383 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036246 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569011 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288941 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063252014 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543593307197188 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222154 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683233 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543582699781906 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891874 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453873955 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457295 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543575486320234 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742829779317 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792553 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.00054357285931154 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903467191 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107707884 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946922 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524418 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635306 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546833 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753523 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484009 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019974 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753418 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921653861 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5866096019744873 total elapsed time for run: 0.5946063995361328 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: 0.00798344612121582 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 = 0.01396277298196033 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526951 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270432 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142972906104933 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468693538 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101201603756017 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700053051 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00885607720705632 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897111972716 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493546845197 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225570948416 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373597553 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006670707163035109 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156603813828 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822149585 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041190392 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089242466 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132510259235 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239604665 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063109343 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624936356 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195299319 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808133749 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765215695 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464141568 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636392346 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186413845 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933219685 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580404255 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449801569 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146355995 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455485536 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855851388 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402980351 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854524022604 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736366646 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375703737 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741089448 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516480748 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00114157025911394 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320254565 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612133548 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085113502225 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861114768 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822505005 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370224519 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235734737 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348570313 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786578302 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528999196 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389818812 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029244228 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856483527 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497783137 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245174975 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713973156 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092848044922 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148383024 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391560633 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858194064602 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867242302 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634198105 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502985142 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275878437 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955478974 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625822932 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000653276452373635 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716356873236 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580232731 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358080733 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771908999 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.000634186145983554 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.000625109062304795 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712733549 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474187711 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776721953989 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887260537 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145370874 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988146979 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030972 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811576153 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656891616 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811391363 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.000568997336733901 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359380995 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939711 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706822806 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625843014 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515686887 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107250311 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341360785 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341635256 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203237851 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724847123 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676749006 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630737253 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868324312 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579148861 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384062 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170992458 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948543 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885826053 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972377037 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348090594 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879502 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173493 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139017446 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014338545 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828396 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669610017 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.00056350377643951 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202387 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607326309 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843461 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823189 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070874 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717779372 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407279 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824729336 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225874 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495415996051 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648238 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229274942 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502086 (0.000447706% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083211 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723491 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976098976 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699698 (5.20444e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418467569279 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849208 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711363 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236834 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414230192417 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051545 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412673104861 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039244 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410680651449 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410555334633 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435846 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175119 (1.19375e-06% change) large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683246 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746178 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634409086817554 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215138 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977988 (4.83407e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 0.6107361316680908 total elapsed time for run: 0.6187536716461182 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: 0.007958173751831055 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 = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801895 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086868 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201445 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101149040859585 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00987699340416227 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00884606860824064 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221224161 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739395114 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363933865 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679840275 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857835163 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909957482 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406083124 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169349666 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210193097 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918540973 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767766329 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430839478 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527389678 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899329299 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728489956 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266780188 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00271090581613373 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653191085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014284506 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826756354 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583190773 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976217171 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993070733 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476542283 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286630099 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538448057 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074256373 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.0013317178840964 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316180671 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805791 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709358326 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433406969 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949684928 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450410519 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00105083357373059 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752102262 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329499097 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577298125 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603273992 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371615349 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945100204 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811161395 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420649967 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983647927 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021828592 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271387472 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295458268 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060907106 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493612014 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989325314 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288805176 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152212044 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190712502 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940315679 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268566425 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794711058 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201998233 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150572701 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776716236 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835007131 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576462207 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627488954 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134151354 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731401935 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544209308 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801605506 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597500234 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393927905 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885220651 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234875018 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060954887 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878698238 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947011943 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164455052 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192017019 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986457492 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231659771 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397365855 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715648155 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960763269 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117263 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290830159 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158843291 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.000546120731063249 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698378125 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751037792 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561750283 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125581359 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773013606 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544600126 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389644642 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713011815 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.000544028253957792 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592686366 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908242543 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442571294 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202163479 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058489343 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057512 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838656613 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019064777 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075125 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752403465 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334859 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071213277 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508084 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613039895 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000543599022776076 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063724004 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072443776 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960693195 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257155041 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998291144 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363681 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.000543579445434515 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929188 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863674404 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251147 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402264126 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587198 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939018 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107755064 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418713 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996215 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107114 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018646 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225308 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955804 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491774 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225204 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125628 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.587242603302002 total elapsed time for run: 0.595233678817749 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: 0.007956743240356445 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 = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988511 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801819 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086955 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201472 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595278 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404160024 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608234508 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221212459 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.00832626873937725 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363913492 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679819434 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857804606 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909907628 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406030228 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169289583 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210151183 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00442322091850826 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767731044 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372589243079011 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527354319 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899296214 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.0030899177284504 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266740131 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816097438 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653154006 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014234987 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826714587 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583158478 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976186337 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993036708 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476497689 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286582407 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538401464 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074215663 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884045262 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316122679 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805735941 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709315935 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433373951 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949649227 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450373777 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573693442 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751756753 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329208806 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772703901 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032446784 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371263634 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944770522 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810871514 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000792080942037003 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983365307 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021529722 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271087209 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295160553 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060610017 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493308208 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989004995 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288481841 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151892633 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190405559 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940036245 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268303693 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794450807 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.00064694612017347 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505451439 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776447861 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834758105 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576216543 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627242839 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.00061918631339057 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731223986 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543955261 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801894981 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597237172 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393707346 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884978534 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234675945 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060697906 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786762212 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946771431 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164213667 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191776518 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986239354 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231422832 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397126648 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715412573 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960546196 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468879738 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290592304 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158605686 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310427088 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.000545850569814016 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750798984 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561513524 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125397295 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772777359 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544363821 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389408305 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712779041 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539341561 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592449945 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908006469 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442337781 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201927324 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058253132 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695821829 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838421435 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018828735 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056839156 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752169877 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958098709 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070977313 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200272163 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612805528 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227524811 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063488047 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072207798 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960458573 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256919092 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998055212 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841127807 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454110303 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840693199 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863438494 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830015227 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402028591 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593351294 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903703103 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077314741 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.000543572096518282 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898760302 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753871262 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431782754 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316989412 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196719897 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.000543571610225586 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959989322 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921889735 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5974340438842773 total elapsed time for run: 0.605471134185791 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: 0.008107900619506836 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 = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086652 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201078 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595853 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404159226 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608236137 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221222943 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739392689 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363947475 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679844602 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857865442 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909925974 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406030207 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169316294 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210191163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918555635 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767774342 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430785343 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527378326 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899326027 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728457939 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266763355 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816140304 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653192409 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014211682 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826712717 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583181567 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976207921 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993040527 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476528172 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628663374 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538448661 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074223171 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884074668 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316186353 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123218480579704 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709348205 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433393041 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949682115 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450409275 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573723999 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751955294 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329446143 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772964061 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032710833 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371529364 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.000816390894504429 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081113959 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420628415 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983605813 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021774638 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271372272 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295455399 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060898546 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493576563 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989307491 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288818381 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152226172 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190704368 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940285961 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268549323 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794698901 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201985443 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505707382 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776695918 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834993007 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576449252 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627475973 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134139081 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731415858 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.000603981954420379 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.00059534818017693 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597506539 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393934356 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000563276788521786 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234883064 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.00055730630609639 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.00055340087869916 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947010485 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164451261 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000551516119201459 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986455809 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623165681 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397359496 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715644714 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960759677 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469113653 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290821931 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158840343 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310628973 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698375711 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751028146 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561746697 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125578125 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773009658 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544596131 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544171138964205 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713009068 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539574001 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592682754 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908239274 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442567925 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202159833 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058485623 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696053936 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653032 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019060305 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057071648 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752400133 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958331564 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071209475 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200504625 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.000543600361303647 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227757318 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063720037 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072440354 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960689741 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257151635 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998287078 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841360211 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454341686 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840925743 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863670571 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830247655 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402260683 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593583732 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903935509 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107754718 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965415235 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898992722 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754103634 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432015197 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317221865 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196952311 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.000543571610248828 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.000543571496022173 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5863919258117676 total elapsed time for run: 0.5945358276367188 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: 0.008018732070922852 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 = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086652 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201078 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408595853 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404159226 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608236137 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221222943 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739392689 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363947475 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679844602 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857865442 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909925974 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406030207 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169316294 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210191163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918555635 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767774342 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430785343 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527378326 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899326027 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728457939 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266763355 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816140304 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653192409 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014211682 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826712717 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583181567 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976207921 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993040527 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476528172 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628663374 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538448661 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074223171 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884074668 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316186353 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123218480579704 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709348205 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433393041 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949682115 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450409275 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573723999 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540751955294 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329446143 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772964061 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032710833 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371529364 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.000816390894504429 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081113959 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420628415 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983605813 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021774638 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271372272 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295455399 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060898546 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493576563 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989307491 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288818381 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152226172 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190704368 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940285961 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268549323 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794698901 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201985443 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505707382 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776695918 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834993007 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576449252 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627475973 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134139081 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731415858 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.000603981954420379 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.00059534818017693 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597506539 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393934356 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000563276788521786 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234883064 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.00055730630609639 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.00055340087869916 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947010485 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164451261 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000551516119201459 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986455809 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623165681 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397359496 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715644714 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960759677 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469113653 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290821931 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158840343 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310628973 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698375711 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751028146 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561746697 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125578125 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773009658 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544596131 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544171138964205 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713009068 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539574001 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592682754 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908239274 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442567925 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202159833 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058485623 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696053936 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653032 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019060305 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057071648 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752400133 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958331564 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071209475 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200504625 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.000543600361303647 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227757318 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063720037 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072440354 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960689741 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257151635 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998287078 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841360211 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454341686 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840925743 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863670571 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830247655 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402260683 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593583732 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903935509 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.000543572107754718 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965415235 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898992722 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754103634 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432015197 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317221865 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196952311 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.000543571610248828 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.000543571496022173 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 0.5982751846313477 total elapsed time for run: 0.606328010559082 done /tmp/meepfwWQZ2/test_point_defect_state-0: 36.54s /tmp/meepfwWQZ2/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: 0.0016813278198242188 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1417534351348877 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42156505584716797 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09222817420959473 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08566522598266602 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09914302825927734 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15476369857788086 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11635947227478027 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09924817085266113 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08531022071838379 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08188748359680176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08161783218383789 Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepfwWQZ2/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepfwWQZ2/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 = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06489872932434082 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07523345947265625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10324859619140625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12017822265625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2512378692626953 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.1914212703704834 done /tmp/meepfwWQZ2/test_poynting-0: 2.20s /tmp/meepfwWQZ2/test_resolution-0 ======================== /tmp/meepfwWQZ2/test_resolution-0: 0.00s /tmp/meepfwWQZ2/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: 0.0015871524810791016 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1416916847229004 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4212014675140381 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09223127365112305 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08562946319580078 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09905600547790527 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15410923957824707 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11629915237426758 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09923076629638672 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0853111743927002 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0820314884185791 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.0816183090209961 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06470704078674316 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07497954368591309 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10278749465942383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12003564834594727 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25128841400146484 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.074274778366089 done /tmp/meepfwWQZ2/test_run_te-0: 2.07s /tmp/meepfwWQZ2/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: 0.0010976791381835938 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 = 28.19057071787519 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652676 (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: 0.023575782775878906 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055375 (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: 0.00945901870727539 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.005946636199951172 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.005918025970458984 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: 0.005921363830566406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (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: 0.005927085876464844 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 = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.0093841552734375 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 = 10.72763995197106 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986668089 (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: 0.00940847396850586 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182261743 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149831233 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121560705 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.7201429283311 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849368 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415468 (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: 0.030029296875 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: 0.005906820297241211 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: 0.00595545768737793 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 = 11.04529896792296 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779076751 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660546839 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541192927 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421005224 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529299973778 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178088465 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.0452905533899 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931714884 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807205499 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681799998 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555487364 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428256385 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300095649 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528170993553 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528040938279 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909917806 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777919899 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644932098 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527510941722 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527375935867 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239901385 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102824892 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964692765 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825491118 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685205817 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543822464 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401326389 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.0452625770265 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526112936021 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967010993 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819911753 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671622196 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522125898 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371406129 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219445831 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066227611 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.0452491173374 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524755946137 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598846375 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440415653 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280634799 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119484263 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523956944066 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523792993891 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627612987 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460780173 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292473847 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.0452312267196 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951352007 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778491029 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604065592 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428051769 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250425144 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071160789 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890233255 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707616558 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523284169 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337208992 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149363372 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959719053 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768247186 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520574918305 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379702311 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182568464 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983485366 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782420939 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579342418 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374216338 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566223641 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022959879 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326728942 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412891847 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366815351 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704638 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343343 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994671 (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: 0.26731419563293457 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: 0.0059261322021484375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (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: 0.00592803955078125 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: 0.005926370620727539 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-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: 0.0046863555908203125 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: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901187 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010296 at Vector3<0.0, 0.0, 0.0> to 1.581138830084637 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.40872788429260254 done /tmp/meepfwWQZ2/test_run_te_no_geometry-0: 0.41s /tmp/meepfwWQZ2/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: 0.002357959747314453 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 = 37.07995427807219 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479104 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715982 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546983 (10.5903% change) linmin: converged after 7 iterations. iteration 5: trace = 10.73396991772579 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619623333 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976064852251 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990942053468 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260229500352 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373992737995 (3.34467% change) linmin: converged after 9 iterations. iteration 11: trace = 8.106938037463252 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014338689118 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044025288115 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221801916152 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401183182603 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380388730299 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279634982483 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129536000221192 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299384768596 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880917273189 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009129702122 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249899502796 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639031239558 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094425064427 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.961290671290445 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090597273195 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594436143475 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427077724179 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335631485183 (0.0589768% change) linmin: converged after 3 iterations. iteration 30: trace = 6.931440745256259 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493559852733 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575580355971 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.92195609265993 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902276354948 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942477778 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294697111187 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713264987 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952566331 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971371119 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744471127827 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.91409594331793 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656441302 (0.00850888% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239353786 (0.00634166% change) linmin: converged after 5 iterations. iteration 44: trace = 6.912734881148703 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643163091 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917482922 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830685809 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698772161 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335357746 (0.00661773% change) linmin: converged after 3 iterations. iteration 50: trace = 6.910392908075353 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294350785 (0.00728804% change) linmin: converged after 7 iterations. iteration 52: trace = 6.909402304212081 (0.00704798% change) linmin: converged after 6 iterations. iteration 53: trace = 6.908895116624727 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.90819191278331 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883123861 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217483654 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772690385 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583539254 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626572432 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191893147 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.89919066188786 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.897351295010338 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666671 (0.0286374% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251486704 (0.0215255% change) linmin: converged after 6 iterations. iteration 65: trace = 6.892335264246674 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058237673 (0.0229877% change) linmin: converged after 5 iterations. iteration 67: trace = 6.889435731225642 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124774062351 (0.0190303% change) linmin: converged after 6 iterations. iteration 69: trace = 6.886910011604837 (0.0176372% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233800281 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388966271 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095114696525 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.87994659843678 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316462705576 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537082326417 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914174675023 (0.00905623% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949956274 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996383308235 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000382662 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381697677 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208231382 (0.0165597% change) linmin: converged after 8 iterations. iteration 82: trace = 6.870977203084404 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687860115962 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477621416901 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565171623574 (0.0132874% change) linmin: converged after 4 iterations. iteration 86: trace = 6.865179370193868 (0.0201839% change) linmin: converged after 7 iterations. iteration 87: trace = 6.862623640204431 (0.0372344% change) linmin: converged after 5 iterations. iteration 88: trace = 6.861124924851314 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.860204110400439 (0.0134217% change) linmin: converged after 4 iterations. iteration 90: trace = 6.85899593823528 (0.0176129% change) linmin: converged after 6 iterations. iteration 91: trace = 6.858118223272071 (0.0127974% change) linmin: converged after 5 iterations. iteration 92: trace = 6.857128033211874 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784894431 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889090109 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.85577583346009 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309319313 (0.00368345% change) linmin: converged after 6 iterations. iteration 97: trace = 6.855274952922894 (0.00362279% change) linmin: converged after 4 iterations. iteration 98: trace = 6.85516080596084 (0.00166511% change) linmin: converged after 5 iterations. iteration 99: trace = 6.855076132958161 (0.00123518% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019040844 (0.00179597% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094665997 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758810104011 (0.000864863% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951473719 (0.000581476% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880432596 (0.000511635% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854645200690635 (0.000564284% change) linmin: converged after 7 iterations. iteration 106: trace = 6.854612595121025 (0.000475672% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016593008 (0.000416925% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271381482 (0.000433947% change) linmin: converged after 4 iterations. iteration 109: trace = 6.854529731098175 (0.000358015% change) linmin: converged after 3 iterations. iteration 110: trace = 6.85451032617816 (0.000283097% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854489441006676 (0.000304693% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472900205786 (0.000241314% change) linmin: converged after 3 iterations. iteration 113: trace = 6.85445619599157 (0.000243698% change) linmin: converged after 3 iterations. iteration 114: trace = 6.854435502532668 (0.000301898% change) linmin: converged after 3 iterations. iteration 115: trace = 6.854411317543918 (0.000352838% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399036010832 (0.000179177% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110525098 (0.000115703% change) large trace change predicted (0.000265242%) linmin: converged after 5 iterations. iteration 118: trace = 6.854372905680224 (0.000265517% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854352891836047 (0.000291987% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355911622 (0.000136158% change) linmin: converged after 5 iterations. iteration 121: trace = 6.85433805076562 (8.0363e-05% change) linmin: converged after 3 iterations. iteration 122: trace = 6.854333109670031 (7.20872e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854329720452945 (4.94464e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963823953 (4.02173e-05% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854323815981874 (4.59249e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854320653827818 (4.61337e-05% change) linmin: converged after 4 iterations. iteration 127: trace = 6.854318503350898 (3.1374e-05% change) linmin: converged after 8 iterations. iteration 128: trace = 6.85431648174432 (2.94939e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496843916 (2.20781e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314300000098 (9.75209e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678998223 (9.06001e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.854312884215395 (1.15954e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 6.854311865523803 (1.48621e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.854311298648694 (8.27034e-06% change) linmin: converged after 5 iterations. iteration 135: trace = 6.854310824373635 (6.91937e-06% change) linmin: converged after 8 iterations. iteration 136: trace = 6.854310167549999 (9.58264e-06% change) linmin: converged after 5 iterations. iteration 137: trace = 6.854309289983799 (1.28031e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657384959 (9.22921e-06% change) linmin: converged after 4 iterations. iteration 139: trace = 6.854307924095668 (1.06982e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.85430741795753 (7.38423e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969999267 (6.53543e-06% change) linmin: converged after 6 iterations. iteration 142: trace = 6.854306474746234 (7.22543e-06% change) linmin: converged after 4 iterations. iteration 143: trace = 6.854306058686805 (6.07004e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757018995 (4.40114e-06% change) linmin: converged after 6 iterations. iteration 145: trace = 6.854305444789216 (4.55524e-06% change) linmin: converged after 6 iterations. iteration 146: trace = 6.854304890348724 (8.08894e-06% change) linmin: converged after 5 iterations. iteration 147: trace = 6.854304491618008 (5.81723e-06% change) linmin: converged after 6 iterations. iteration 148: trace = 6.854304291611362 (2.91797e-06% change) linmin: converged after 7 iterations. iteration 149: trace = 6.85430406097317 (3.36487e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303701030546 (5.25134e-06% change) linmin: converged after 9 iterations. iteration 151: trace = 6.854303402250228 (4.35902e-06% change) linmin: converged after 4 iterations. iteration 152: trace = 6.854303138147559 (3.85309e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877354657 (3.80481e-06% change) linmin: converged after 8 iterations. iteration 154: trace = 6.854302639862343 (3.46486e-06% change) linmin: converged after 10 iterations. iteration 155: trace = 6.854302422638009 (3.16917e-06% change) linmin: converged after 5 iterations. iteration 156: trace = 6.85430226035828 (2.36756e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.85430202299859 (3.46293e-06% change) linmin: converged after 6 iterations. iteration 158: trace = 6.854301803084193 (3.20841e-06% change) linmin: converged after 21 iterations. iteration 159: trace = 6.854301557949087 (3.57637e-06% change) linmin: converged after 13 iterations. iteration 160: trace = 6.854301404120981 (2.24426e-06% change) linmin: converged after 6 iterations. iteration 161: trace = 6.854301308364163 (1.39703e-06% change) linmin: converged after 5 iterations. iteration 162: trace = 6.854301245803399 (9.12723e-07% change) linmin: converged after 6 iterations. iteration 163: trace = 6.854301157786383 (1.28411e-06% change) linmin: converged after 9 iterations. iteration 164: trace = 6.854301069008716 (1.29521e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009962249 (8.61451e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969712035 (5.87226e-07% change) linmin: converged after 10 iterations. iteration 167: trace = 6.854300948093899 (3.15395e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932079138 (2.33645e-07% change) linmin: converged after 8 iterations. iteration 169: trace = 6.854300911085044 (3.06291e-07% change) linmin: converged after 5 iterations. iteration 170: trace = 6.854300891898116 (2.79925e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881316067 (1.54386e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873074544 (1.20239e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 6.854300860998613 (1.7618e-07% change) linmin: converged after 9 iterations. iteration 174: trace = 6.854300852081605 (1.30094e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842756837 (1.36043e-07% change) linmin: converged after 4 iterations. iteration 176: trace = 6.854300830319976 (1.81446e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822658853 (1.11771e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817999977 (6.79701e-08% change) linmin: converged after 6 iterations. iteration 179: trace = 6.854300813566252 (6.46853e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808265787 (7.73305e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.85430080189012 (9.3017e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 6.854300795458916 (9.38273e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 6.854300791299546 (6.06826e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 6.854300788181162 (4.54953e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785346512 (4.13558e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781059477 (6.25452e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.85430077849625 (3.73959e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 6.854300777083773 (2.06072e-08% change) linmin: converged after 5 iterations. iteration 189: trace = 6.854300775839437 (1.81541e-08% change) linmin: converged after 4 iterations. iteration 190: trace = 6.854300774397618 (2.10352e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773195782 (1.7534e-08% change) linmin: converged after 10 iterations. iteration 192: trace = 6.854300772733366 (6.74637e-09% change) linmin: converged after 5 iterations. iteration 193: trace = 6.854300772377667 (5.18942e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771834831 (7.91964e-09% change) linmin: converged after 4 iterations. iteration 195: trace = 6.854300771439799 (5.76327e-09% change) linmin: converged after 8 iterations. iteration 196: trace = 6.854300771270411 (2.47127e-09% change) linmin: converged after 15 iterations. iteration 197: trace = 6.854300771195954 (1.08629e-09% change) linmin: converged after 5 iterations. iteration 198: trace = 6.85430077114026 (8.1253e-10% change) linmin: converged after 6 iterations. iteration 199: trace = 6.854300771070988 (1.01064e-09% change) linmin: converged after 6 iterations. iteration 200: trace = 6.854300771010828 (8.77695e-10% change) linmin: converged after 5 iterations. iteration 201: trace = 6.854300770988376 (3.27565e-10% change) linmin: converged after 3 iterations. iteration 202: trace = 6.85430077097574 (1.8434e-10% change) linmin: converged after 5 iterations. iteration 203: trace = 6.854300770964803 (1.59564e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.854300770958496 (9.20275e-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: 0.9061555862426758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537458770543 (11.2703% change) linmin: converged after 9 iterations. iteration 2: trace = 7.003247357231354 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 12 iterations. iteration 3: trace = 6.975139323720075 (0.402164% change) linmin: converged after 6 iterations. iteration 4: trace = 6.971270249796364 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746709176 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392871869965 (0.329376% change) linmin: converged after 7 iterations. iteration 7: trace = 6.931992241213145 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331502758634 (0.211718% change) linmin: converged after 5 iterations. iteration 9: trace = 6.902037334308378 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451972369 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872059050643 (0.0303758% change) large trace change predicted (0.158392%) linmin: converged after 16 iterations. iteration 12: trace = 6.888130422086455 (0.153627% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392672096422 (0.0397538% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023933438058 (0.0634695% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.851222975463971 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570430815456 (0.0387239% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532529449004 (0.029761% change) large trace change predicted (0.118503%) linmin: converged after 5 iterations. iteration 18: trace = 6.838958713011278 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261213899658 (0.0101994% change) large trace change predicted (0.0363605%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756717892115 (0.0366315% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373294781 (0.0615827% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144950362522 (0.00590547% change) large trace change predicted (0.0574304%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114320193621 (0.0590211% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314254045346 (0.0556769% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904148454289 (0.00601054% change) large trace change predicted (0.0472522%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507846213498 (0.0497903% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042496114999 (0.0214899% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386908592947 (0.00961594% change) large trace change predicted (0.0746118%) linmin: converged after 5 iterations. iteration 29: trace = 6.811801979469831 (0.0819554% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011809866311 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751566516852 (0.0185047% change) large trace change predicted (0.0614978%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453215230848 (0.0631405% change) linmin: converged after 3 iterations. iteration 33: trace = 6.805025641051587 (0.00628301% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.802964560161085 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346849465774 (0.0384864% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157588018116 (0.00278315% change) large trace change predicted (0.0152533%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129591064455 (0.0151184% change) linmin: converged after 3 iterations. iteration 38: trace = 6.797753748529395 (0.0202376% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626611652197 (0.0018703% change) large trace change predicted (0.00964375%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985848418216 (0.00942672% change) linmin: converged after 4 iterations. iteration 41: trace = 6.796346974237312 (0.00939982% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284306755298 (0.00092208% change) large trace change predicted (0.00629695%) linmin: converged after 4 iterations. iteration 43: trace = 6.795867526962835 (0.00613265% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406396346936 (0.00678569% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367588222659 (0.000571095% change) large trace change predicted (0.00284232%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177118671837 (0.00280297% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940917809682 (0.00347607% change) linmin: converged after 5 iterations. iteration 48: trace = 6.794907135235329 (0.000497174% change) large trace change predicted (0.00433788%) linmin: converged after 4 iterations. iteration 49: trace = 6.79461593008832 (0.00428573% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255732232035 (0.00530137% change) linmin: converged after 6 iterations. iteration 51: trace = 6.794217399161713 (0.0005642% change) large trace change predicted (0.00335304%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991211603265 (0.00332917% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728115043741 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694256794119 (0.000498376% change) large trace change predicted (0.00365895%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263012027 (0.00365042% change) linmin: converged after 4 iterations. iteration 56: trace = 6.79319685158562 (0.00367142% change) linmin: converged after 9 iterations. iteration 57: trace = 6.793167321985417 (0.000434695% change) large trace change predicted (0.00302389%) linmin: converged after 5 iterations. iteration 58: trace = 6.792962144869102 (0.00302039% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383436505 (0.00274937% change) linmin: converged after 4 iterations. iteration 60: trace = 6.792756986167655 (0.000270836% change) large trace change predicted (0.00165708%) linmin: converged after 5 iterations. iteration 61: trace = 6.792644652658681 (0.00165374% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550296052503 (0.00138911% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537663864187 (0.000185971% change) large trace change predicted (0.00160148%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429265012766 (0.00159586% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340576376375 (0.00130571% change) linmin: converged after 16 iterations. iteration 66: trace = 6.792331550527897 (0.000132883% change) large trace change predicted (0.000841255%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274568698177 (0.000838918% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438769073 (0.000546651% change) linmin: converged after 11 iterations. iteration 69: trace = 6.792232609045143 (7.11065e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228297098191 (6.34835e-05% change) large trace change predicted (0.00110164%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153696178212 (0.00109833% change) linmin: converged after 12 iterations. iteration 72: trace = 6.792149583711656 (6.05473e-05% change) large trace change predicted (0.000708861%) linmin: converged after 5 iterations. iteration 73: trace = 6.792101528889144 (0.000707508% change) linmin: converged after 5 iterations. iteration 74: trace = 6.792099860165784 (2.45686e-05% change) large trace change predicted (0.000619125%) linmin: converged after 4 iterations. iteration 75: trace = 6.792057870211257 (0.000618219% change) linmin: converged after 27 iterations. iteration 76: trace = 6.792056167172855 (2.5074e-05% change) large trace change predicted (0.000403867%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028720633257 (0.000404098% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026996687894 (2.53819e-05% change) large trace change predicted (0.000260596%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009276372577 (0.000260899% change) linmin: converged after 4 iterations. iteration 80: trace = 6.792008452394795 (1.21316e-05% change) large trace change predicted (0.000159639%) linmin: converged after 3 iterations. iteration 81: trace = 6.79199759856979 (0.000159803% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904837159 (1.0214e-05% change) large trace change predicted (8.62686e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991042742044 (8.63089e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706015693 (4.9577e-06% change) large trace change predicted (6.51946e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.79198627771271 (6.51989e-05% change) linmin: converged after 4 iterations. iteration 86: trace = 6.791986002491485 (4.05215e-06% change) large trace change predicted (5.28282e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982413729166 (5.28382e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.791981792179875 (9.15122e-06% change) large trace change predicted (5.89448e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977793987513 (5.88664e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 6.791976820418645 (1.43341e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 6.791975633273901 (1.74786e-05% change) linmin: converged after 10 iterations. iteration 92: trace = 6.791973900510644 (2.55119e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 6.79197342735875 (6.96634e-06% change) large trace change predicted (1.82842e-05%) linmin: converged after 3 iterations. iteration 94: trace = 6.79197218562005 (1.82824e-05% change) linmin: converged after 7 iterations. iteration 95: trace = 6.791971554510297 (9.292e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 6.791970944564885 (8.98039e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.79197020424627 (1.08999e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818866197 (5.67405e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.791969226500072 (8.72157e-06% change) linmin: converged after 12 iterations. iteration 100: trace = 6.79196870849545 (7.62672e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 6.791968633626281 (1.10232e-06% change) large trace change predicted (5.10903e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968286614616 (5.10915e-06% change) linmin: converged after 7 iterations. iteration 103: trace = 6.791968271359229 (2.24609e-07% change) large trace change predicted (2.51701e-06%) linmin: converged after 4 iterations. iteration 104: trace = 6.791968100409844 (2.51693e-06% change) linmin: converged after 4 iterations. iteration 105: trace = 6.791968092597848 (1.15018e-07% change) large trace change predicted (2.05412e-06%) linmin: converged after 2 iterations. iteration 106: trace = 6.791967953083027 (2.05411e-06% change) linmin: converged after 7 iterations. iteration 107: trace = 6.791967948031305 (7.43779e-08% change) large trace change predicted (1.46229e-06%) linmin: converged after 7 iterations. iteration 108: trace = 6.791967848710163 (1.46233e-06% change) linmin: converged after 13 iterations. iteration 109: trace = 6.791967845213797 (5.1478e-08% change) large trace change predicted (1.32193e-06%) linmin: converged after 5 iterations. iteration 110: trace = 6.791967755430326 (1.32191e-06% change) linmin: converged after 6 iterations. iteration 111: trace = 6.791967750703794 (6.959e-08% change) large trace change predicted (1.19531e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967669514257 (1.19538e-06% change) linmin: converged after 9 iterations. iteration 113: trace = 6.791967666687638 (4.16171e-08% change) large trace change predicted (7.69574e-07%) linmin: converged after 4 iterations. iteration 114: trace = 6.791967614419717 (7.69555e-07% change) linmin: converged after 5 iterations. iteration 115: trace = 6.791967611014348 (5.01382e-08% change) large trace change predicted (3.20606e-07%) linmin: converged after 25 iterations. iteration 116: trace = 6.791967589238912 (3.20606e-07% change) linmin: converged after 9 iterations. iteration 117: trace = 6.791967586997452 (3.30016e-08% change) large trace change predicted (2.80841e-07%) linmin: converged after 2 iterations. iteration 118: trace = 6.791967567922804 (2.80841e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206625 (8.62276e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 6.791967551088215 (1.61633e-07% change) linmin: converged after 4 iterations. iteration 121: trace = 6.791967543190053 (1.16287e-07% change) linmin: converged after 17 iterations. iteration 122: trace = 6.791967536851629 (9.33224e-08% change) linmin: converged after 21 iterations. iteration 123: trace = 6.791967524533746 (1.8136e-07% change) linmin: converged after 9 iterations. iteration 124: trace = 6.791967521931811 (3.8309e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.791967517045971 (7.19356e-08% change) linmin: converged after 11 iterations. iteration 126: trace = 6.79196751659859 (6.58691e-09% change) large trace change predicted (5.53959e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.791967512836083 (5.53964e-08% change) linmin: converged after 21 iterations. iteration 128: trace = 6.791967512490546 (5.08743e-09% change) large trace change predicted (3.88715e-08%) linmin: converged after 19 iterations. iteration 129: trace = 6.791967509850352 (3.88723e-08% change) linmin: converged after 4 iterations. iteration 130: trace = 6.791967509709573 (2.07273e-09% change) large trace change predicted (5.20863e-08%) linmin: converged after 20 iterations. iteration 131: trace = 6.791967506171849 (5.20869e-08% change) linmin: converged after 20 iterations. iteration 132: trace = 6.79196750602184 (2.20862e-09% change) large trace change predicted (5.55664e-08%) linmin: converged after 10 iterations. iteration 133: trace = 6.791967502247739 (5.55671e-08% change) linmin: converged after 16 iterations. iteration 134: trace = 6.791967502136398 (1.63931e-09% change) large trace change predicted (2.59003e-08%) linmin: converged after 4 iterations. iteration 135: trace = 6.791967500377262 (2.59002e-08% change) linmin: converged after 30 iterations. iteration 136: trace = 6.791967500303233 (1.08995e-09% change) large trace change predicted (1.49122e-08%) linmin: converged after 2 iterations. iteration 137: trace = 6.791967499290397 (1.49123e-08% change) linmin: converged after 4 iterations. iteration 138: trace = 6.791967499234445 (8.23805e-10% change) large trace change predicted (1.08059e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498500507 (1.0806e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.791967498334164 (2.44912e-09% change) linmin: converged after 30 iterations. iteration 141: trace = 6.791967498254754 (1.16918e-09% change) large trace change predicted (3.81809e-09%) linmin: converged after 9 iterations. iteration 142: trace = 6.79196749799543 (3.81809e-09% change) linmin: converged after 23 iterations. iteration 143: trace = 6.79196749794482 (7.45148e-10% change) large trace change predicted (4.68143e-09%) linmin: converged after 4 iterations. iteration 144: trace = 6.791967497626859 (4.68142e-09% change) linmin: converged after 17 iterations. iteration 145: trace = 6.791967497596886 (4.41306e-10% change) large trace change predicted (6.65759e-09%) linmin: converged after 4 iterations. iteration 146: trace = 6.791967497144714 (6.65745e-09% change) linmin: converged after 15 iterations. iteration 147: trace = 6.791967497128221 (2.42838e-10% change) large trace change predicted (4.64755e-09%) linmin: converged after 13 iterations. iteration 148: trace = 6.791967496812549 (4.64772e-09% change) linmin: converged after 22 iterations. iteration 149: trace = 6.791967496783056 (4.34231e-10% change) large trace change predicted (1.8846e-09%) linmin: converged after 3 iterations. iteration 150: trace = 6.791967496655055 (1.88459e-09% change) linmin: converged after 5 iterations. iteration 151: trace = 6.791967496643834 (1.65213e-10% change) large trace change predicted (1.76711e-09%) linmin: converged after 20 iterations. iteration 152: trace = 6.791967496523808 (1.76717e-09% change) linmin: converged after 6 iterations. iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 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: 0.8960292339324951 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233662613292 (0.0293394% change) large trace change predicted (0.119593%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228730676621 (0.11815% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767888516656562 (0.0493417% change) linmin: converged after 4 iterations. iteration 4: trace = 6.766771631127858 (0.0165041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765535637176449 (0.0182673% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292073661334 (0.00360013% change) large trace change predicted (0.0160506%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215417296434 (0.0159157% change) linmin: converged after 4 iterations. iteration 8: trace = 6.764074531351157 (0.00208283% change) large trace change predicted (0.00881703%) linmin: converged after 4 iterations. iteration 9: trace = 6.76347833436666 (0.00881456% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763113180777198 (0.00539905% change) linmin: converged after 4 iterations. iteration 11: trace = 6.762840562813345 (0.00403103% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762590213357559 (0.00370191% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500265914912 (0.00133008% change) large trace change predicted (0.00531666%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138865384413 (0.00534433% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074386137362 (0.000953538% change) large trace change predicted (0.00413297%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792967852388 (0.0041618% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761638007231685 (0.00229174% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443532342174 (0.00287619% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761354010678641 (0.00132401% change) linmin: converged after 4 iterations. iteration 20: trace = 6.76131176236402 (0.000624852% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229213826009 (0.0012209% change) linmin: converged after 4 iterations. iteration 22: trace = 6.761215114069401 (0.000208539% change) large trace change predicted (0.00158179%) linmin: converged after 3 iterations. iteration 23: trace = 6.761108202603172 (0.00158126% change) linmin: converged after 6 iterations. iteration 24: trace = 6.761091262548052 (0.000250552% change) large trace change predicted (0.00137182%) linmin: converged after 3 iterations. iteration 25: trace = 6.760998500904947 (0.001372% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760977540918202 (0.000310014% change) linmin: converged after 3 iterations. iteration 27: trace = 6.760936818602294 (0.000602316% change) linmin: converged after 3 iterations. iteration 28: trace = 6.760921245870161 (0.000230334% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910140766615 (0.000164254% change) linmin: converged after 4 iterations. iteration 30: trace = 6.760890267409732 (0.000293945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887279606997 (4.41925e-05% change) large trace change predicted (0.000191503%) linmin: converged after 4 iterations. iteration 32: trace = 6.76087432380865 (0.000191629% change) linmin: converged after 5 iterations. iteration 33: trace = 6.760866479924875 (0.000116019% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856609052698 (0.000146% change) linmin: converged after 4 iterations. iteration 35: trace = 6.760848850846902 (0.000114752% change) linmin: converged after 4 iterations. iteration 36: trace = 6.760841846916914 (0.000103595% change) linmin: converged after 5 iterations. iteration 37: trace = 6.760835956037811 (8.71324e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832922137637 (4.48746e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829248087384 (5.43432e-05% change) linmin: converged after 7 iterations. iteration 40: trace = 6.760828391113448 (1.26756e-05% change) large trace change predicted (5.84605e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.760824439385647 (5.84504e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.760823785391183 (9.6733e-06% change) large trace change predicted (5.63834e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760819975198059 (5.6357e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760819020343801 (1.41234e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.760817398079341 (2.39951e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.760816323511408 (1.58941e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.760816115112642 (3.08245e-06% change) large trace change predicted (1.47954e-05%) linmin: converged after 5 iterations. iteration 48: trace = 6.76081511475625 (1.47964e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.760815018399315 (1.42523e-06% change) large trace change predicted (1.20633e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814202728658 (1.20647e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814120506232 (1.21616e-06% change) large trace change predicted (7.45288e-06%) linmin: converged after 3 iterations. iteration 52: trace = 6.760813616582729 (7.45359e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.760813488287585 (1.89763e-06% change) large trace change predicted (5.56532e-06%) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112035367 (5.56519e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 6.760812918398767 (2.8641e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805893701 (1.66408e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.760812646718302 (2.35438e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 6.760812619024847 (4.09617e-07% change) large trace change predicted (1.70591e-06%) linmin: converged after 3 iterations. iteration 59: trace = 6.760812503693161 (1.70588e-06% change) linmin: converged after 14 iterations. iteration 60: trace = 6.760812471727117 (4.72814e-07% change) large trace change predicted (1.43361e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.76081237480401 (1.4336e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.760812349747429 (3.70615e-07% change) linmin: converged after 17 iterations. iteration 63: trace = 6.760812314229788 (5.25346e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812295449118 (2.77787e-07% change) linmin: converged after 20 iterations. iteration 65: trace = 6.760812271116999 (3.59899e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.76081224084399 (4.47772e-07% change) linmin: converged after 16 iterations. iteration 67: trace = 6.760812234776371 (8.97469e-08% change) large trace change predicted (3.74055e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812209486301 (3.74069e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 6.760812207260066 (3.29285e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.760812205380207 (2.78052e-08% change) large trace change predicted (1.24909e-07%) linmin: converged after 4 iterations. iteration 71: trace = 6.760812196935282 (1.2491e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812194740354 (3.24654e-08% change) large trace change predicted (8.68792e-08%) linmin: converged after 13 iterations. iteration 73: trace = 6.760812188866579 (8.68797e-08% change) linmin: converged after 3 iterations. iteration 74: trace = 6.760812184724538 (6.12654e-08% change) linmin: converged after 22 iterations. iteration 75: trace = 6.760812181341919 (5.00327e-08% change) linmin: converged after 19 iterations. iteration 76: trace = 6.760812177223904 (6.09101e-08% change) linmin: converged after 17 iterations. iteration 77: trace = 6.760812174274005 (4.36323e-08% change) large trace change predicted (1.00514e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.760812167478436 (1.00514e-07% change) linmin: converged after 19 iterations. iteration 79: trace = 6.760812165891807 (2.3468e-08% change) large trace change predicted (8.21563e-08%) linmin: converged after 26 iterations. iteration 80: trace = 6.760812160337361 (8.21565e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.76081215907644 (1.86504e-08% change) large trace change predicted (6.15184e-08%) linmin: converged after 7 iterations. iteration 82: trace = 6.760812154917349 (6.15176e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151232336 (5.45055e-08% change) linmin: converged after 17 iterations. iteration 84: trace = 6.760812150102741 (1.6708e-08% change) linmin: converged after 7 iterations. iteration 85: trace = 6.760812149057777 (1.54562e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.760812148328064 (1.07933e-08% change) linmin: converged after 8 iterations. iteration 87: trace = 6.760812147806423 (7.71566e-09% change) linmin: converged after 5 iterations. iteration 88: trace = 6.760812146972909 (1.23286e-08% change) linmin: converged after 18 iterations. iteration 89: trace = 6.760812146792507 (2.66835e-09% change) large trace change predicted (1.05487e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146079321 (1.05488e-08% change) linmin: converged after 4 iterations. iteration 91: trace = 6.76081214588122 (2.93012e-09% change) large trace change predicted (9.16672e-09%) linmin: converged after 4 iterations. iteration 92: trace = 6.760812145261479 (9.16667e-09% change) linmin: converged after 6 iterations. iteration 93: trace = 6.760812144890995 (5.47988e-09% change) linmin: converged after 18 iterations. iteration 94: trace = 6.760812144766787 (1.83718e-09% change) large trace change predicted (3.94247e-09%) linmin: converged after 10 iterations. iteration 95: trace = 6.760812144500255 (3.9423e-09% change) linmin: converged after 21 iterations. iteration 96: trace = 6.760812144457378 (6.34196e-10% change) large trace change predicted (2.12111e-09%) linmin: converged after 8 iterations. iteration 97: trace = 6.76081214431397 (2.12116e-09% change) linmin: converged after 5 iterations. iteration 98: trace = 6.760812144230774 (1.23056e-09% change) linmin: converged after 4 iterations. iteration 99: trace = 6.76081214416757 (9.34866e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.760812144072368 (1.40815e-09% change) linmin: converged after 15 iterations. iteration 101: trace = 6.760812144043551 (4.26235e-10% change) large trace change predicted (1.03597e-09%) linmin: converged after 4 iterations. iteration 102: trace = 6.760812143973515 (1.0359e-09% change) linmin: converged after 6 iterations. iteration 103: trace = 6.760812143964135 (1.38742e-10% change) large trace change predicted (5.84988e-10%) linmin: converged after 2 iterations. iteration 104: trace = 6.760812143924595 (5.84853e-10% change) linmin: converged after 6 iterations. iteration 105: trace = 6.760812143886893 (5.57646e-10% change) linmin: converged after 22 iterations. iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 0.6227045059204102 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819508219988 (0.0683417% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521845247693 (0.0484155% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878728174198 (0.0388226% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531546238578 (0.00510059% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812313465 (0.00988414% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278629640603 (0.00852512% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018729206464 (0.00381917% change) large trace change predicted (0.00764415%) linmin: converged after 4 iterations. iteration 8: trace = 6.80449975807835 (0.00762659% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166040104378 (0.00490449% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208365732 (0.00539143% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143705532 (0.00424867% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404286916172 (0.00155593% change) large trace change predicted (0.00417119%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569359131 (0.00418502% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867686857146 (0.00370252% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805672849434 (0.00091159% change) large trace change predicted (0.0037265%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551008999021 (0.00374358% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508927733024 (0.000618612% change) large trace change predicted (0.00153195%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404655808074 (0.00153286% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520587534 (0.00186899% change) linmin: converged after 4 iterations. iteration 20: trace = 6.802247414972667 (0.000442582% change) large trace change predicted (0.00128702%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763826145 (0.00128857% change) linmin: converged after 3 iterations. iteration 22: trace = 6.802097108498234 (0.000921114% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077230209528 (0.000292238% change) large trace change predicted (0.00072329%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028030225554 (0.000723311% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006232245031 (0.000320463% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991480857499 (0.000216868% change) linmin: converged after 13 iterations. iteration 27: trace = 6.801969336139529 (0.000325563% change) linmin: converged after 5 iterations. iteration 28: trace = 6.801957256082648 (0.000177597% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951800071285 (8.02124e-05% change) large trace change predicted (0.00022194%) linmin: converged after 4 iterations. iteration 30: trace = 6.801936705854001 (0.00022191% change) linmin: converged after 3 iterations. iteration 31: trace = 6.801934035172881 (3.92635e-05% change) large trace change predicted (0.000217614%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919236975676 (0.000217559% change) linmin: converged after 3 iterations. iteration 33: trace = 6.80191452512863 (6.92723e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.801907420469828 (0.000104451% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902690706328 (6.95359e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.801901466978578 (1.7991e-05% change) large trace change predicted (5.37537e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.801897810855744 (5.37515e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895847802752 (2.88604e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985013194 (2.73863e-05% change) linmin: converged after 19 iterations. iteration 40: trace = 6.801891470055961 (3.69744e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 6.80189069006492 (1.14673e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235253484 (2.13883e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888192197239 (1.53348e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.801887967651422 (3.30123e-06% change) large trace change predicted (7.31743e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887469940185 (7.31725e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.801886974159298 (7.28887e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.801886743571457 (3.39006e-06% change) large trace change predicted (1.27356e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.801885877252749 (1.27364e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885687267485 (2.79313e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 6.801885358673595 (4.83092e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885210568678 (2.17741e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 6.801885140350342 (1.03234e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 6.801885017801631 (1.80169e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 6.801884971862796 (6.75384e-07% change) large trace change predicted (1.65889e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884859025914 (1.65891e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.801884765491366 (1.37513e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 6.801884741932468 (3.46358e-07% change) large trace change predicted (7.34039e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692003786 (7.34042e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 6.80188466050531 (4.63085e-07% change) linmin: converged after 21 iterations. iteration 60: trace = 6.801884645428476 (2.21657e-07% change) linmin: converged after 20 iterations. iteration 61: trace = 6.801884621153685 (3.56883e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 6.80188460993198 (1.64979e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 6.801884594016375 (2.33988e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.801884582177701 (1.7405e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.801884576433165 (8.44551e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.801884566571959 (1.44978e-07% change) linmin: converged after 25 iterations. iteration 67: trace = 6.801884562689891 (5.70734e-08% change) linmin: converged after 3 iterations. iteration 68: trace = 6.801884555497646 (1.05739e-07% change) linmin: converged after 10 iterations. iteration 69: trace = 6.801884548994815 (9.56034e-08% change) resetting CG direction... linmin: converged after 12 iterations. iteration 70: trace = 6.801884547515387 (2.17503e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.801884545360386 (3.16824e-08% change) linmin: converged after 5 iterations. iteration 72: trace = 6.801884544064887 (1.90462e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.801884543138418 (1.36208e-08% change) linmin: converged after 6 iterations. iteration 74: trace = 6.801884541735411 (2.06267e-08% change) linmin: converged after 18 iterations. iteration 75: trace = 6.801884541326608 (6.01014e-09% change) large trace change predicted (1.77761e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540117523 (1.77757e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.801884539500458 (9.07197e-09% change) linmin: converged after 6 iterations. iteration 78: trace = 6.80188453908594 (6.09417e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.801884538426486 (9.69516e-09% change) linmin: converged after 10 iterations. iteration 80: trace = 6.801884538218956 (3.05107e-09% change) large trace change predicted (9.80955e-09%) linmin: converged after 21 iterations. iteration 81: trace = 6.801884537551715 (9.80965e-09% change) linmin: converged after 6 iterations. iteration 82: trace = 6.801884537139951 (6.05366e-09% change) linmin: converged after 26 iterations. iteration 83: trace = 6.801884536942101 (2.90876e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 6.801884536586122 (5.23353e-09% change) linmin: converged after 20 iterations. iteration 85: trace = 6.801884536357644 (3.35905e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536233658 (1.82282e-09% change) linmin: converged after 26 iterations. iteration 87: trace = 6.801884536108722 (1.83678e-09% change) linmin: converged after 16 iterations. iteration 88: trace = 6.801884536055081 (7.88614e-10% change) large trace change predicted (1.79266e-09%) linmin: converged after 6 iterations. iteration 89: trace = 6.801884535933144 (1.7927e-09% change) linmin: converged after 24 iterations. iteration 90: trace = 6.801884535899444 (4.95453e-10% change) large trace change predicted (1.23487e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.801884535815449 (1.23488e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.801884535773334 (6.19163e-10% change) linmin: converged after 15 iterations. iteration 93: trace = 6.801884535753365 (2.93592e-10% change) linmin: converged after 9 iterations. iteration 94: trace = 6.801884535731968 (3.14563e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.801884535713657 (2.69213e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.801884535706489 (1.05377e-10% change) large trace change predicted (2.25567e-10%) linmin: converged after 4 iterations. iteration 97: trace = 6.801884535691138 (2.25692e-10% change) linmin: converged after 15 iterations. iteration 98: trace = 6.801884535674619 (2.42863e-10% change) linmin: converged after 2 iterations. iteration 99: trace = 6.801884535667632 (1.02713e-10% change) large trace change predicted (2.20302e-10%) linmin: converged after 8 iterations. iteration 100: trace = 6.801884535652651 (2.20246e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.5933215618133545 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925881798292199 (0.0869816% change) linmin: converged after 3 iterations. iteration 2: trace = 6.9229225259514 (0.0427369% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648508630198 (0.032853% change) linmin: converged after 4 iterations. iteration 4: trace = 6.919688694130618 (0.0138698% change) linmin: converged after 4 iterations. iteration 5: trace = 6.9192786056375 (0.00592658% change) large trace change predicted (0.0145666%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274799994855 (0.0145084% change) linmin: converged after 4 iterations. iteration 7: trace = 6.91757301330911 (0.0101445% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717042170276 (0.00582001% change) linmin: converged after 3 iterations. iteration 9: trace = 6.916380858719524 (0.0114152% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938475163338 (0.00639638% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627887978417 (0.00449099% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595538192 (0.00824677% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570526779777 (0.00704384% change) linmin: converged after 3 iterations. iteration 14: trace = 6.91442336897636 (0.00212825% change) large trace change predicted (0.00433627%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122171751801 (0.00435617% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960746784396 (0.00233474% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682758315103 (0.00402076% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569624543927 (0.00163639% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334352257579 (0.00327046% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913263031312358 (0.0011643% change) linmin: converged after 15 iterations. iteration 21: trace = 6.913199861543292 (0.000913752% change) linmin: converged after 3 iterations. iteration 22: trace = 6.913142044518144 (0.000836331% change) linmin: converged after 6 iterations. iteration 23: trace = 6.913116163816769 (0.00037437% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090515482353 (0.00037101% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913046805634677 (0.000632279% change) linmin: converged after 3 iterations. iteration 26: trace = 6.913020774091535 (0.000376557% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001674697812 (0.000276282% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976749113279 (0.000360562% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912971244996962 (7.96201e-05% change) large trace change predicted (0.000181474%) linmin: converged after 3 iterations. iteration 30: trace = 6.912958702065374 (0.000181441% change) linmin: converged after 15 iterations. iteration 31: trace = 6.912946620631539 (0.000174765% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912941200300708 (7.84084e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933462689976 (0.000111929% change) linmin: converged after 12 iterations. iteration 34: trace = 6.912927788569319 (8.20798e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.912925543877318 (3.24709e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923366452396 (3.14979e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920253757397 (4.50272e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.91291918583872 (1.54482e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.91291752131117 (2.40785e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.91291631802408 (1.74064e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915796698972 (7.54132e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 6.912915208180214 (8.51332e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914546415715 (9.57287e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914250440259 (4.28149e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913754122829 (7.17957e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.912913166100848 (8.50614e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.912912879055559 (4.15231e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.912912672755615 (2.98427e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.91291252359359 (2.15773e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912437158742 (1.25034e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.912912301843973 (1.95742e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.912912141120616 (2.32497e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912094963387 (6.67696e-07% change) large trace change predicted (1.37508e-06%) linmin: converged after 4 iterations. iteration 54: trace = 6.912911999899769 (1.37516e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.912911938686116 (8.85497e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 6.912911893521379 (6.53339e-07% change) linmin: converged after 6 iterations. iteration 57: trace = 6.912911841729086 (7.49211e-07% change) linmin: converged after 2 iterations. iteration 58: trace = 6.912911791218241 (7.30674e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.912911779594948 (1.68139e-07% change) large trace change predicted (3.68251e-07%) linmin: converged after 2 iterations. iteration 60: trace = 6.912911754138028 (3.68252e-07% change) linmin: converged after 16 iterations. iteration 61: trace = 6.91291173524443 (2.73309e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.912911721998706 (1.91608e-07% change) large trace change predicted (4.53468e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911690652783 (4.5344e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 6.912911672612801 (2.60961e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 6.912911664103595 (1.23092e-07% change) linmin: converged after 20 iterations. iteration 66: trace = 6.912911654714987 (1.35813e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.912911645869683 (1.27953e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.912911641485165 (6.34251e-08% change) large trace change predicted (1.86099e-07%) linmin: converged after 16 iterations. iteration 69: trace = 6.912911628620017 (1.86103e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.912911623609482 (7.24808e-08% change) linmin: converged after 16 iterations. iteration 71: trace = 6.912911619950242 (5.29334e-08% change) linmin: converged after 18 iterations. iteration 72: trace = 6.912911615014117 (7.14044e-08% change) linmin: converged after 3 iterations. iteration 73: trace = 6.912911609923537 (7.36387e-08% change) linmin: converged after 13 iterations. iteration 74: trace = 6.912911600448374 (1.37065e-07% change) large trace change predicted (7.005e-07%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911552014634 (7.00627e-07% change) large trace change predicted (3.26976e-06%) linmin: converged after 4 iterations. iteration 76: trace = 6.912911324882718 (3.28562e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 77: trace = 6.909407411940434 (0.0506994% change) linmin: converged after 14 iterations. iteration 78: trace = 6.909407303259766 (1.57294e-06% change) linmin: converged after 5 iterations. iteration 79: trace = 6.909407194879683 (1.56859e-06% change) linmin: converged after 6 iterations. iteration 80: trace = 6.909407086803446 (1.56419e-06% change) linmin: converged after 6 iterations. iteration 81: trace = 6.909406979027686 (1.55984e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.909406871560214 (1.55538e-06% change) linmin: converged after 6 iterations. iteration 83: trace = 6.909406764399476 (1.55094e-06% change) linmin: converged after 6 iterations. iteration 84: trace = 6.909406657546903 (1.54648e-06% change) linmin: converged after 6 iterations. iteration 85: trace = 6.909406551003777 (1.542e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.909406444771263 (1.53751e-06% change) linmin: converged after 6 iterations. iteration 87: trace = 6.909406338847629 (1.53304e-06% change) linmin: converged after 20 iterations. iteration 88: trace = 6.909406233236654 (1.52851e-06% change) linmin: converged after 14 iterations. iteration 89: trace = 6.909406127939251 (1.52397e-06% change) linmin: converged after 7 iterations. iteration 90: trace = 6.909406022958676 (1.51939e-06% change) linmin: converged after 15 iterations. iteration 91: trace = 6.909405918293174 (1.51483e-06% change) linmin: converged after 14 iterations. iteration 92: trace = 6.909405813941406 (1.51029e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909405709907355 (1.50569e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909405606189644 (1.50111e-06% change) linmin: converged after 19 iterations. iteration 95: trace = 6.909405502788598 (1.49653e-06% change) linmin: converged after 15 iterations. iteration 96: trace = 6.90940539970425 (1.49194e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.90940529693715 (1.48735e-06% change) linmin: converged after 8 iterations. iteration 98: trace = 6.909405194487154 (1.48276e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 6.909405092353508 (1.47818e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.909404990537729 (1.47358e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 6.909404889038919 (1.46899e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.909404787856076 (1.46442e-06% change) linmin: converged after 11 iterations. iteration 103: trace = 6.909404686990555 (1.45983e-06% change) linmin: converged after 8 iterations. iteration 104: trace = 6.909404586441252 (1.45525e-06% change) linmin: converged after 8 iterations. iteration 105: trace = 6.909404486205638 (1.45071e-06% change) linmin: converged after 7 iterations. iteration 106: trace = 6.90940438628765 (1.44612e-06% change) linmin: converged after 8 iterations. iteration 107: trace = 6.909404286684655 (1.44156e-06% change) linmin: converged after 14 iterations. iteration 108: trace = 6.909404187394779 (1.43703e-06% change) linmin: converged after 8 iterations. iteration 109: trace = 6.909404088420219 (1.43246e-06% change) linmin: converged after 8 iterations. iteration 110: trace = 6.9094039897583 (1.42794e-06% change) linmin: converged after 8 iterations. iteration 111: trace = 6.909403891408473 (1.42342e-06% change) linmin: converged after 9 iterations. iteration 112: trace = 6.909403793371282 (1.4189e-06% change) linmin: converged after 7 iterations. iteration 113: trace = 6.909403695644156 (1.41441e-06% change) linmin: converged after 11 iterations. iteration 114: trace = 6.909403598229497 (1.40989e-06% change) linmin: converged after 15 iterations. iteration 115: trace = 6.909403501123285 (1.40542e-06% change) linmin: converged after 8 iterations. iteration 116: trace = 6.909403404325506 (1.40096e-06% change) linmin: converged after 6 iterations. iteration 117: trace = 6.909403307835841 (1.3965e-06% change) linmin: converged after 6 iterations. iteration 118: trace = 6.909403211655174 (1.39203e-06% change) linmin: converged after 5 iterations. iteration 119: trace = 6.909403115779074 (1.38762e-06% change) linmin: converged after 19 iterations. iteration 120: trace = 6.90940302021008 (1.38317e-06% change) linmin: converged after 15 iterations. iteration 121: trace = 6.909402924943801 (1.37879e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.90940282998096 (1.3744e-06% change) linmin: converged after 11 iterations. iteration 123: trace = 6.909402735322186 (1.37e-06% change) linmin: converged after 8 iterations. iteration 124: trace = 6.909402640963187 (1.36566e-06% change) linmin: converged after 19 iterations. iteration 125: trace = 6.909402546904536 (1.36131e-06% change) linmin: converged after 10 iterations. iteration 126: trace = 6.909402453145184 (1.35698e-06% change) linmin: converged after 7 iterations. iteration 127: trace = 6.909402359684876 (1.35265e-06% change) linmin: converged after 8 iterations. iteration 128: trace = 6.909402266520806 (1.34837e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.909402173653994 (1.34406e-06% change) linmin: converged after 15 iterations. iteration 130: trace = 6.909402081082199 (1.33979e-06% change) linmin: converged after 10 iterations. iteration 131: trace = 6.909401988802639 (1.33557e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.909401896816838 (1.33131e-06% change) linmin: converged after 10 iterations. iteration 133: trace = 6.909401805122543 (1.32709e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 6.909401713717047 (1.32291e-06% change) linmin: converged after 12 iterations. iteration 135: trace = 6.909401622601867 (1.31871e-06% change) linmin: converged after 7 iterations. iteration 136: trace = 6.909401531773128 (1.31457e-06% change) linmin: converged after 11 iterations. iteration 137: trace = 6.909401441232235 (1.3104e-06% change) linmin: converged after 18 iterations. iteration 138: trace = 6.909401350976032 (1.30628e-06% change) linmin: converged after 5 iterations. iteration 139: trace = 6.909401261003318 (1.30218e-06% change) resetting CG direction... large trace change predicted (0.111831%) linmin: converged after 4 iterations. iteration 140: trace = 6.901922701401765 (0.108296% change) linmin: converged after 4 iterations. iteration 141: trace = 6.889246761849792 (0.183827% change) linmin: converged after 4 iterations. iteration 142: trace = 6.879314220704985 (0.144279% change) linmin: converged after 4 iterations. iteration 143: trace = 6.871993578724105 (0.106472% change) linmin: converged after 4 iterations. iteration 144: trace = 6.85905677008803 (0.188431% change) linmin: converged after 4 iterations. iteration 145: trace = 6.846561881925398 (0.182332% change) linmin: converged after 4 iterations. iteration 146: trace = 6.837774882420545 (0.128424% change) large trace change predicted (0.261264%) linmin: converged after 5 iterations. iteration 147: trace = 6.82038659448041 (0.254621% change) linmin: converged after 4 iterations. iteration 148: trace = 6.811549309755332 (0.129656% change) linmin: converged after 4 iterations. iteration 149: trace = 6.803010641167304 (0.125434% change) linmin: converged after 3 iterations. iteration 150: trace = 6.795772549221677 (0.106452% change) linmin: converged after 4 iterations. iteration 151: trace = 6.786305906325278 (0.139399% change) linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. iteration 153: trace = 6.762501080820078 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. iteration 155: trace = 6.743925282478449 (0.136994% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736994478099859 (0.102824% change) linmin: converged after 4 iterations. iteration 157: trace = 6.732878238745256 (0.0611177% change) linmin: converged after 4 iterations. iteration 158: trace = 6.726657933453789 (0.0924297% change) linmin: converged after 4 iterations. iteration 159: trace = 6.721195120311204 (0.0812444% change) linmin: converged after 3 iterations. iteration 160: trace = 6.717648620160629 (0.0527798% change) linmin: converged after 9 iterations. iteration 161: trace = 6.713194200918354 (0.0663312% change) linmin: converged after 4 iterations. iteration 162: trace = 6.710505504937696 (0.0400589% change) linmin: converged after 3 iterations. iteration 163: trace = 6.706901369151968 (0.0537233% change) linmin: converged after 4 iterations. iteration 164: trace = 6.705010608085182 (0.0281953% change) linmin: converged after 3 iterations. iteration 165: trace = 6.70188765506045 (0.0465873% change) linmin: converged after 3 iterations. iteration 166: trace = 6.700031905898658 (0.0276938% change) linmin: converged after 3 iterations. iteration 167: trace = 6.697510888054483 (0.037634% change) linmin: converged after 4 iterations. iteration 168: trace = 6.695584232456802 (0.0287709% change) linmin: converged after 3 iterations. iteration 169: trace = 6.693804055526829 (0.0265909% change) linmin: converged after 3 iterations. iteration 170: trace = 6.692039962871821 (0.0263576% change) linmin: converged after 4 iterations. iteration 171: trace = 6.690949988840293 (0.0162889% change) linmin: converged after 3 iterations. iteration 172: trace = 6.689021225820898 (0.0288306% change) linmin: converged after 4 iterations. iteration 173: trace = 6.688226203752949 (0.0118862% change) linmin: converged after 3 iterations. iteration 174: trace = 6.687474380827883 (0.0112416% change) linmin: converged after 3 iterations. iteration 175: trace = 6.686715447178671 (0.0113492% change) linmin: converged after 3 iterations. iteration 176: trace = 6.68595816141414 (0.0113259% change) linmin: converged after 3 iterations. iteration 177: trace = 6.68527986567914 (0.0101456% change) linmin: converged after 3 iterations. iteration 178: trace = 6.684926169510021 (0.00529081% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. iteration 179: trace = 6.684160014452743 (0.0114616% change) linmin: converged after 3 iterations. iteration 180: trace = 6.68379530234466 (0.00545651% change) linmin: converged after 3 iterations. iteration 181: trace = 6.683426312215122 (0.00552082% change) linmin: converged after 3 iterations. iteration 182: trace = 6.683087980566226 (0.00506238% change) linmin: converged after 3 iterations. iteration 183: trace = 6.68276361175373 (0.00485369% change) linmin: converged after 3 iterations. iteration 184: trace = 6.682414515266442 (0.00522397% change) linmin: converged after 3 iterations. iteration 185: trace = 6.682218187694787 (0.00293802% change) linmin: converged after 3 iterations. iteration 186: trace = 6.681916581224351 (0.00451367% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681779641167005 (0.00204943% change) linmin: converged after 5 iterations. iteration 188: trace = 6.681606953872663 (0.00258448% change) linmin: converged after 4 iterations. iteration 189: trace = 6.681488504563664 (0.00177278% change) linmin: converged after 3 iterations. iteration 190: trace = 6.681358272366602 (0.00194917% change) linmin: converged after 10 iterations. iteration 191: trace = 6.681230235500497 (0.00191635% change) linmin: converged after 5 iterations. iteration 192: trace = 6.6811288270835 (0.00151782% change) linmin: converged after 4 iterations. iteration 193: trace = 6.680953874347516 (0.00261864% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680873367074792 (0.00120503% change) linmin: converged after 5 iterations. iteration 195: trace = 6.680765390544085 (0.00161622% change) linmin: converged after 9 iterations. iteration 196: trace = 6.680693385129812 (0.00107781% change) linmin: converged after 6 iterations. iteration 197: trace = 6.68062105366074 (0.0010827% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680572671849443 (0.000724214% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680536490133266 (0.000541597% change) linmin: converged after 3 iterations. iteration 200: trace = 6.680481376728336 (0.000824988% change) linmin: converged after 5 iterations. iteration 201: trace = 6.680455500315117 (0.000387344% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680415642440067 (0.000596636% change) linmin: converged after 3 iterations. iteration 203: trace = 6.680384072694054 (0.000472573% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680340624959269 (0.00065038% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680309707236553 (0.000462818% change) linmin: converged after 4 iterations. iteration 206: trace = 6.680284460794091 (0.000377924% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680246429982121 (0.000569301% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680230558103617 (0.000237594% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680212665706824 (0.000267841% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.680199266929479 (0.000200574% change) linmin: converged after 3 iterations. iteration 211: trace = 6.680176329495439 (0.000343365% change) linmin: converged after 3 iterations. iteration 212: trace = 6.680157132337356 (0.000287375% change) linmin: converged after 6 iterations. iteration 213: trace = 6.680148386202022 (0.000130927% change) large trace change predicted (0.000268503%) linmin: converged after 3 iterations. iteration 214: trace = 6.680130453713534 (0.000268445% change) linmin: converged after 3 iterations. iteration 215: trace = 6.680117119837281 (0.000199605% change) linmin: converged after 4 iterations. iteration 216: trace = 6.680111655384402 (8.18018e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.68010507011362 (9.85803e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 6.680099229256731 (8.74366e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680096911351662 (3.46987e-05% change) linmin: converged after 5 iterations. iteration 220: trace = 6.680092842384724 (6.09118e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 6.680089179833528 (5.48279e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680087434377293 (2.61292e-05% change) large trace change predicted (5.58738e-05%) linmin: converged after 3 iterations. iteration 223: trace = 6.680083701568315 (5.58797e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680080072969977 (5.43197e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680078801637671 (1.90317e-05% change) linmin: converged after 7 iterations. iteration 226: trace = 6.680076350837193 (3.66882e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 6.680074690109035 (2.48609e-05% change) linmin: converged after 8 iterations. iteration 228: trace = 6.680073351070969 (2.00453e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 6.68007285452746 (7.4332e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 6.680072090994439 (1.143e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680071248584382 (1.26108e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680070960238667 (4.31651e-06% change) large trace change predicted (1.18534e-05%) linmin: converged after 5 iterations. iteration 233: trace = 6.680070168326894 (1.18548e-05% change) linmin: converged after 19 iterations. iteration 234: trace = 6.68006965411633 (7.69768e-06% change) linmin: converged after 4 iterations. iteration 235: trace = 6.680069400433313 (3.79761e-06% change) linmin: converged after 4 iterations. iteration 236: trace = 6.680069104629979 (4.42815e-06% change) linmin: converged after 4 iterations. iteration 237: trace = 6.680068901432917 (3.04184e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 6.680068816419869 (1.27264e-06% change) linmin: converged after 6 iterations. iteration 239: trace = 6.680068659755051 (2.34526e-06% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068550683506 (1.63279e-06% change) linmin: converged after 14 iterations. iteration 241: trace = 6.680068504970169 (6.84324e-07% change) linmin: converged after 6 iterations. iteration 242: trace = 6.680068425446491 (1.19046e-06% change) linmin: converged after 7 iterations. iteration 243: trace = 6.680068372313352 (7.95398e-07% change) linmin: converged after 4 iterations. iteration 244: trace = 6.680068349511027 (3.41349e-07% change) linmin: converged after 3 iterations. iteration 245: trace = 6.680068316252574 (4.97876e-07% change) linmin: converged after 7 iterations. iteration 246: trace = 6.680068281840759 (5.15142e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.680068263861698 (2.69145e-07% change) linmin: converged after 5 iterations. iteration 248: trace = 6.680068250316288 (2.02774e-07% change) linmin: converged after 7 iterations. iteration 249: trace = 6.680068235011274 (2.29115e-07% change) linmin: converged after 5 iterations. iteration 250: trace = 6.68006821953699 (2.31649e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068209700503 (1.47251e-07% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068201055386 (1.29417e-07% change) linmin: converged after 4 iterations. iteration 253: trace = 6.680068196815148 (6.3476e-08% change) linmin: converged after 4 iterations. iteration 254: trace = 6.68006819428233 (3.7916e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068189733394 (6.80972e-08% change) linmin: converged after 7 iterations. iteration 256: trace = 6.680068185326181 (6.59756e-08% change) linmin: converged after 6 iterations. iteration 257: trace = 6.680068184115238 (1.81277e-08% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068182525833 (2.37932e-08% change) linmin: converged after 7 iterations. iteration 259: trace = 6.680068181099807 (2.13475e-08% change) linmin: converged after 4 iterations. iteration 260: trace = 6.680068180538626 (8.40083e-09% change) linmin: converged after 4 iterations. iteration 261: trace = 6.680068179768131 (1.15342e-08% change) linmin: converged after 4 iterations. iteration 262: trace = 6.680068179150874 (9.24029e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.68006817875833 (5.87634e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068178534971 (3.34367e-09% change) linmin: converged after 22 iterations. iteration 265: trace = 6.680068178135892 (5.97418e-09% change) linmin: converged after 4 iterations. iteration 266: trace = 6.680068178021659 (1.71006e-09% change) large trace change predicted (3.85974e-09%) linmin: converged after 4 iterations. iteration 267: trace = 6.680068177763815 (3.85991e-09% change) linmin: converged after 5 iterations. iteration 268: trace = 6.680068177602221 (2.41904e-09% change) linmin: converged after 9 iterations. iteration 269: trace = 6.680068177493695 (1.62463e-09% change) linmin: converged after 7 iterations. iteration 270: trace = 6.680068177432303 (9.19029e-10% change) linmin: converged after 15 iterations. iteration 271: trace = 6.680068177338072 (1.41063e-09% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177272095 (9.87663e-10% change) linmin: converged after 4 iterations. iteration 273: trace = 6.680068177245388 (3.99796e-10% change) linmin: converged after 15 iterations. iteration 274: trace = 6.680068177203003 (6.34509e-10% change) linmin: converged after 15 iterations. iteration 275: trace = 6.680068177157596 (6.79742e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177145132 (1.86582e-10% change) large trace change predicted (3.75195e-10%) linmin: converged after 4 iterations. iteration 277: trace = 6.680068177120065 (3.75252e-10% change) linmin: converged after 6 iterations. iteration 278: trace = 6.680068177107303 (1.91036e-10% change) linmin: converged after 9 iterations. iteration 279: trace = 6.680068177097761 (1.42852e-10% change) resetting CG direction... linmin: converged after 9 iterations. iteration 280: trace = 6.680068177092473 (7.91641e-11% change) Finished solving for bands 1 to 8 after 280 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: 1.6331956386566162 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587455311328 (0.0686633% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159760210607 (0.0665581% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179164838401 (0.0297871% change) linmin: converged after 4 iterations. iteration 4: trace = 6.64753416259331 (0.00970241% change) linmin: converged after 3 iterations. iteration 5: trace = 6.6469666136075 (0.0085381% change) linmin: converged after 4 iterations. iteration 6: trace = 6.645994018177636 (0.0146332% change) linmin: converged after 3 iterations. iteration 7: trace = 6.64530472666308 (0.0103721% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933052356651 (0.00559319% change) linmin: converged after 3 iterations. iteration 9: trace = 6.644423335856935 (0.00767105% change) linmin: converged after 3 iterations. iteration 10: trace = 6.64420115647265 (0.0033439% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990275840968 (0.00317396% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843510252407 (0.00220902% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564751930795 (0.00419583% change) linmin: converged after 4 iterations. iteration 14: trace = 6.64327911203505 (0.00429959% change) linmin: converged after 3 iterations. iteration 15: trace = 6.64307162272011 (0.00312335% change) linmin: converged after 4 iterations. iteration 16: trace = 6.642974799946697 (0.00145751% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909147828732 (0.000988299% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890167027224 (0.000285731% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868866277831 (0.000320655% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841255990717 (0.000415639% change) linmin: converged after 4 iterations. iteration 21: trace = 6.642822870559128 (0.000276771% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805065880108 (0.000268029% change) linmin: converged after 3 iterations. iteration 23: trace = 6.64279144083442 (0.00020511% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785631391333 (8.74549e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.642782971983666 (4.00345e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780010618989 (4.45802e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.64277821577196 (2.70195e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777033771829 (1.77938e-05% change) large trace change predicted (3.72453e-05%) linmin: converged after 4 iterations. iteration 29: trace = 6.642774560640914 (3.72304e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773633138377 (1.39626e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772722826313 (1.37038e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.642771828262404 (1.34667e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.64277087576031 (1.43389e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.642770553794994 (4.84685e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 6.642770128430119 (6.40343e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.642769885778785 (3.65286e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.642769776764544 (1.6411e-06% change) linmin: converged after 3 iterations. iteration 38: trace = 6.642769636191611 (2.11618e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.642769529879722 (1.60042e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 6.64276948230084 (7.16251e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417347594 (9.77804e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718568 (5.51412e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.642769352276503 (4.28166e-07% change) linmin: converged after 8 iterations. iteration 44: trace = 6.642769335009672 (2.59934e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308412368 (4.00395e-07% change) linmin: converged after 10 iterations. iteration 46: trace = 6.642769295594344 (1.92962e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 6.642769286031895 (1.43953e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.642769278113336 (1.19206e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.642769268636345 (1.42666e-07% change) linmin: converged after 6 iterations. iteration 50: trace = 6.642769264678964 (5.95743e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258347661 (9.53112e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.642769254860999 (5.24881e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253450789 (2.12293e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332606 (3.1887e-08% change) linmin: converged after 8 iterations. iteration 55: trace = 6.642769250050419 (1.9302e-08% change) linmin: converged after 7 iterations. iteration 56: trace = 6.6427692492726 (1.17093e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248105801 (1.7565e-08% change) linmin: converged after 32 iterations. iteration 58: trace = 6.642769246923345 (1.78006e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246437547 (7.31319e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.642769246055699 (5.74833e-09% change) linmin: converged after 19 iterations. iteration 61: trace = 6.642769245798688 (3.86904e-09% change) linmin: converged after 26 iterations. iteration 62: trace = 6.642769245596893 (3.03781e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.642769245361455 (3.54427e-09% change) linmin: converged after 5 iterations. iteration 64: trace = 6.642769245059515 (4.54539e-09% change) linmin: converged after 24 iterations. iteration 65: trace = 6.64276924497741 (1.23601e-09% change) linmin: converged after 14 iterations. iteration 66: trace = 6.642769244866003 (1.67713e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.642769244785121 (1.21759e-09% change) linmin: converged after 8 iterations. iteration 68: trace = 6.642769244740458 (6.72354e-10% change) linmin: converged after 14 iterations. iteration 69: trace = 6.642769244697033 (6.53716e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.64276924467363 (3.52302e-10% change) linmin: converged after 15 iterations. iteration 71: trace = 6.642769244658356 (2.29934e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.64276924463728 (3.17284e-10% change) linmin: converged after 11 iterations. iteration 73: trace = 6.642769244619855 (2.62318e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 6.64276924460999 (1.48507e-10% change) linmin: converged after 9 iterations. iteration 75: trace = 6.642769244598637 (1.70903e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.64276924458175 (2.54215e-10% change) linmin: converged after 3 iterations. iteration 77: trace = 6.642769244576464 (7.95685e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.45272040367126465 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429231511185 (0.117813% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682646875626627 (0.0715382% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627759254707 (0.0451887% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424623045876 (0.077926% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593818216934 (0.0574118% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532380670411 (0.0159135% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698883194505 (0.0124979% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450150690025 (0.018727% change) linmin: converged after 4 iterations. iteration 9: trace = 6.66685421691059 (0.00893836% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666561020957688 (0.00439791% change) large trace change predicted (0.0103226%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873832486198 (0.0103085% change) linmin: converged after 3 iterations. iteration 12: trace = 6.66534367843415 (0.00795357% change) linmin: converged after 5 iterations. iteration 13: trace = 6.664960567151565 (0.00574798% change) linmin: converged after 4 iterations. iteration 14: trace = 6.66447182671495 (0.00733325% change) linmin: converged after 4 iterations. iteration 15: trace = 6.66434339982356 (0.00192706% change) linmin: converged after 3 iterations. iteration 16: trace = 6.66423537972366 (0.00162088% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099941917526 (0.00203233% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928212821615 (0.00257696% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861709370718 (0.000997967% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812777113738 (0.000734295% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735503528859 (0.00115961% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674701397493 (0.000912437% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634535229166 (0.000602765% change) linmin: converged after 6 iterations. iteration 24: trace = 6.663593038411381 (0.000622737% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573597485097 (0.000291749% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564028806269 (0.000143597% change) linmin: converged after 3 iterations. iteration 27: trace = 6.663549047974307 (0.000224817% change) linmin: converged after 4 iterations. iteration 28: trace = 6.663543234598157 (8.72415e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539629620816 (5.41e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020747423 (5.41585e-05% change) large trace change predicted (0.000126928%) linmin: converged after 4 iterations. iteration 31: trace = 6.663527560554203 (0.000126963% change) linmin: converged after 12 iterations. iteration 32: trace = 6.663522796841909 (7.14894e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519837331688 (4.44136e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.663516772751093 (4.59904e-05% change) linmin: converged after 17 iterations. iteration 35: trace = 6.663513849617122 (4.38677e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.663512817242067 (1.5493e-05% change) large trace change predicted (3.44646e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520469217 (3.44679e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473661299 (1.57096e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.663509059368947 (6.21733e-06% change) large trace change predicted (1.53076e-05%) linmin: converged after 3 iterations. iteration 40: trace = 6.663508039277591 (1.53086e-05% change) linmin: converged after 8 iterations. iteration 41: trace = 6.663507363532601 (1.0141e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506896337038 (7.01126e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 6.663506558669988 (5.06741e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 6.663506414338931 (2.16599e-06% change) linmin: converged after 10 iterations. iteration 45: trace = 6.663506331335545 (1.24564e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506214951667 (1.74659e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039919197 (2.62673e-06% change) linmin: converged after 6 iterations. iteration 48: trace = 6.663505983939295 (8.40097e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.663505907522652 (1.14679e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 6.663505851032006 (8.47762e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 6.663505805256612 (6.86957e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790501416 (2.21433e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766531589 (3.59718e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.663505741478836 (3.7597e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 6.663505723652033 (2.67529e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.663505707379739 (2.442e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.663505697265364 (1.51788e-07% change) linmin: converged after 10 iterations. iteration 58: trace = 6.663505694684291 (3.87345e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691927321 (4.13742e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.663505688934743 (4.491e-08% change) linmin: converged after 18 iterations. iteration 61: trace = 6.663505686200639 (4.1031e-08% change) linmin: converged after 5 iterations. iteration 62: trace = 6.663505684949753 (1.87722e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683327255 (2.4349e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 6.663505682009577 (1.97745e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681307788 (1.05318e-08% change) linmin: converged after 34 iterations. iteration 66: trace = 6.663505680001043 (1.96105e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.663505679184849 (1.22487e-08% change) linmin: converged after 12 iterations. iteration 68: trace = 6.663505678748463 (6.5489e-09% change) linmin: converged after 6 iterations. iteration 69: trace = 6.663505678470028 (4.17851e-09% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.663505678326044 (2.16079e-09% change) linmin: converged after 5 iterations. iteration 71: trace = 6.663505678226778 (1.4897e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 6.663505678093959 (1.99322e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 6.663505677966054 (1.9195e-09% change) linmin: converged after 9 iterations. iteration 74: trace = 6.663505677909059 (8.55322e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.663505677805617 (1.55237e-09% change) linmin: converged after 5 iterations. iteration 76: trace = 6.66350567774159 (9.60861e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677713072 (4.27967e-10% change) linmin: converged after 15 iterations. iteration 78: trace = 6.663505677677868 (5.28308e-10% change) linmin: converged after 3 iterations. iteration 79: trace = 6.66350567764272 (5.27482e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622083 (3.09699e-10% change) linmin: converged after 11 iterations. iteration 81: trace = 6.663505677595312 (4.01749e-10% change) linmin: converged after 5 iterations. iteration 82: trace = 6.663505677568759 (3.98484e-10% change) linmin: converged after 3 iterations. iteration 83: trace = 6.663505677548605 (3.02462e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 6.663505677537475 (1.67026e-10% change) linmin: converged after 9 iterations. iteration 85: trace = 6.663505677527899 (1.437e-10% change) linmin: converged after 2 iterations. iteration 86: trace = 6.663505677520185 (1.15776e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 6.66350567751532 (7.30029e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.5103013515472412 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447319829122 (0.144043% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737973961372528 (0.0960266% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141747682221 (0.0865949% change) linmin: converged after 8 iterations. iteration 4: trace = 6.724828796500679 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434241355379 (0.0504907% change) linmin: converged after 4 iterations. iteration 6: trace = 6.718962205415226 (0.0367852% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543134764343 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463675707937 (0.0160705% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767540648555 (0.0103651% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605751548929 (0.0173009% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521985435469 (0.0161417% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581835313906 (0.0140048% change) linmin: converged after 3 iterations. iteration 13: trace = 6.71158981476003 (0.0147796% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907669864163 (0.0101642% change) linmin: converged after 3 iterations. iteration 15: trace = 6.710743952111041 (0.00243961% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647231451 (0.00478803% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149736269088 (0.00406705% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926499244011 (0.00332691% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615222871843 (0.00463915% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090117643 (0.00345976% change) linmin: converged after 4 iterations. iteration 21: trace = 6.709272387074732 (0.00164999% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433556145 (0.00160903% change) linmin: converged after 3 iterations. iteration 23: trace = 6.709082283752179 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040657449078 (0.000620449% change) linmin: converged after 4 iterations. iteration 25: trace = 6.709012986499432 (0.000412444% change) linmin: converged after 4 iterations. iteration 26: trace = 6.708973601301382 (0.000587051% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949150379244 (0.000364452% change) linmin: converged after 3 iterations. iteration 28: trace = 6.708939654510758 (0.00014154% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851624748 (0.000265361% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911468699708 (0.000154763% change) linmin: converged after 5 iterations. iteration 31: trace = 6.708903821442493 (0.000113987% change) linmin: converged after 5 iterations. iteration 32: trace = 6.708893718400836 (0.000150592% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883944464088 (0.000145686% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879439481632 (6.71495e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.708871489178604 (0.000118504% change) linmin: converged after 3 iterations. iteration 36: trace = 6.708866031173699 (8.13551e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 6.708863196868343 (4.22472e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860828992465 (3.52947e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.708858447883698 (3.5492e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.708856997940599 (2.16124e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902056196 (3.12406e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.708852610091869 (3.41633e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.708851929347837 (1.0147e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237630113 (1.03105e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.708850275593168 (1.43398e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.70884964610264 (9.38299e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882323291 (1.13847e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.70884831288727 (8.48784e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847878958689 (6.468e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.708847658426824 (3.28718e-06% change) large trace change predicted (7.00903e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188184538 (7.00929e-06% change) linmin: converged after 23 iterations. iteration 52: trace = 6.708846832162545 (5.30675e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.708846619270131 (3.17331e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387818853 (3.44994e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 6.70884617767422 (3.13235e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.708846099858042 (1.1599e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988806679 (1.6553e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.708845926155432 (9.3386e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.708845871821884 (8.09879e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.708845822810831 (7.30544e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.708845760357077 (9.30917e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.70884574300153 (2.58696e-07% change) linmin: converged after 8 iterations. iteration 63: trace = 6.708845724909551 (2.69673e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.708845702105521 (3.3991e-07% change) linmin: converged after 2 iterations. iteration 65: trace = 6.708845680309581 (3.24884e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 6.708845664242869 (2.39485e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650776952 (2.00719e-07% change) linmin: converged after 8 iterations. iteration 68: trace = 6.708845645402574 (8.01088e-08% change) linmin: converged after 15 iterations. iteration 69: trace = 6.708845642039176 (5.01338e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.708845640022382 (3.00617e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.708845637673427 (3.50128e-08% change) linmin: converged after 15 iterations. iteration 72: trace = 6.708845634534958 (4.67811e-08% change) linmin: converged after 12 iterations. iteration 73: trace = 6.708845632986939 (2.30743e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.708845630875617 (3.14707e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.708845629670367 (1.79651e-08% change) linmin: converged after 24 iterations. iteration 76: trace = 6.70884562875462 (1.36498e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 6.708845628229008 (7.83462e-09% change) large trace change predicted (2.48639e-08%) linmin: converged after 25 iterations. iteration 78: trace = 6.708845626560922 (2.4864e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 6.70884562540218 (1.72719e-08% change) linmin: converged after 28 iterations. iteration 80: trace = 6.70884562479466 (9.05551e-09% change) linmin: converged after 15 iterations. iteration 81: trace = 6.708845624335286 (6.84729e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623793696 (8.07277e-09% change) linmin: converged after 21 iterations. iteration 83: trace = 6.708845623387073 (6.061e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.708845623152627 (3.49458e-09% change) linmin: converged after 7 iterations. iteration 85: trace = 6.708845622824246 (4.89474e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.708845622519809 (4.53784e-09% change) linmin: converged after 10 iterations. iteration 87: trace = 6.708845622381896 (2.0557e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195793 (2.77399e-09% change) linmin: converged after 4 iterations. iteration 89: trace = 6.708845622083587 (1.6725e-09% change) linmin: converged after 5 iterations. iteration 90: trace = 6.708845622026749 (8.47224e-10% change) linmin: converged after 16 iterations. iteration 91: trace = 6.708845621976815 (7.44292e-10% change) linmin: converged after 24 iterations. iteration 92: trace = 6.708845621907823 (1.02837e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621869335 (5.73695e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 6.708845621841251 (4.18615e-10% change) linmin: converged after 13 iterations. iteration 95: trace = 6.708845621811554 (4.42656e-10% change) linmin: converged after 10 iterations. iteration 96: trace = 6.70884562176952 (6.26545e-10% change) linmin: converged after 7 iterations. iteration 97: trace = 6.708845621746257 (3.4674e-10% change) linmin: converged after 6 iterations. iteration 98: trace = 6.708845621736258 (1.49044e-10% change) linmin: converged after 5 iterations. iteration 99: trace = 6.70884562172633 (1.47985e-10% change) linmin: converged after 2 iterations. iteration 100: trace = 6.708845621714904 (1.70319e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.708845621705082 (1.46396e-10% change) linmin: converged after 3 iterations. iteration 102: trace = 6.708845621699862 (7.78183e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 0.5979204177856445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698633809191 (0.215819% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922874907878 (0.173586% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206258588999 (0.128686% change) linmin: converged after 4 iterations. iteration 4: trace = 6.763253549953755 (0.0879767% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899925054087 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681354754137 (0.0328201% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086651621764 (0.0235977% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832192148723 (0.0185668% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118495779664 (0.0253694% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749081335605 (0.0350872% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302803233563 (0.0362383% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516481140149 (0.0116511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249224640233 (0.0187801% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632665094483 (0.00913836% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834465752674 (0.0118318% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082856496751 (0.0111424% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977418818899 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390383242796 (0.00870497% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072678219028 (0.00471147% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715957574696 (0.00529032% change) linmin: converged after 3 iterations. iteration 21: trace = 6.742464020086605 (0.00373651% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330320976678 (0.00198296% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122762408378 (0.00307849% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003826540353 (0.00176409% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741880968654315 (0.00182229% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788400424308 (0.00137304% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624608298757 (0.00242954% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503274116909 (0.00179979% change) linmin: converged after 4 iterations. iteration 29: trace = 6.741388490429167 (0.00170266% change) linmin: converged after 8 iterations. iteration 30: trace = 6.741262264020804 (0.00187243% change) linmin: converged after 4 iterations. iteration 31: trace = 6.741141894022464 (0.00178559% change) linmin: converged after 3 iterations. iteration 32: trace = 6.74109194778558 (0.000740919% change) large trace change predicted (0.0015712%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986068071619 (0.00157067% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890539238255 (0.00141714% change) linmin: converged after 3 iterations. iteration 35: trace = 6.740821369640258 (0.00102612% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737626221328 (0.00124234% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661828861594 (0.00112447% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629875483647 (0.00047404% change) linmin: converged after 4 iterations. iteration 39: trace = 6.740602082832254 (0.000412316% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570556701472 (0.000467706% change) linmin: converged after 15 iterations. iteration 41: trace = 6.740536128832213 (0.000510757% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511930212224 (0.000359002% change) linmin: converged after 4 iterations. iteration 43: trace = 6.740477774203758 (0.000506729% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464323510009 (0.000199551% change) linmin: converged after 3 iterations. iteration 45: trace = 6.740454927660496 (0.000139395% change) linmin: converged after 3 iterations. iteration 46: trace = 6.740442913058701 (0.000178246% change) linmin: converged after 3 iterations. iteration 47: trace = 6.740433220383139 (0.000143799% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427240072998 (8.8723e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422387262584 (7.19956e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416731226987 (8.39122e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414148071736 (3.83234e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411996847174 (3.19153e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269508348 (4.04625e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 6.740406805416326 (3.6557e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527769054 (1.8955e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.740404267303223 (1.87002e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728427431 (7.99471e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.74040343819223 (4.3059e-06% change) linmin: converged after 16 iterations. iteration 59: trace = 6.740402943820226 (7.33446e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141855679 (1.18979e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401774602421 (5.44854e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 6.740401383698577 (5.79941e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.74040121333598 (2.52748e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 6.740401083437249 (1.92717e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960825165 (1.81906e-06% change) linmin: converged after 3 iterations. iteration 66: trace = 6.740400775720624 (2.74619e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708166186 (1.00223e-06% change) linmin: converged after 19 iterations. iteration 68: trace = 6.740400660070001 (7.13551e-07% change) linmin: converged after 31 iterations. iteration 69: trace = 6.74040062254798 (5.56673e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.74040060312624 (2.88139e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.740400587239849 (2.35689e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.740400563945599 (3.45591e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 6.74040053383998 (4.46644e-07% change) linmin: converged after 7 iterations. iteration 74: trace = 6.740400521568885 (1.82053e-07% change) linmin: converged after 3 iterations. iteration 75: trace = 6.740400502328089 (2.85455e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 6.740400485759526 (2.4581e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 6.740400468356567 (2.58189e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451031929 (2.57027e-07% change) linmin: converged after 5 iterations. iteration 79: trace = 6.740400430663574 (3.02183e-07% change) linmin: converged after 3 iterations. iteration 80: trace = 6.740400419609705 (1.63994e-07% change) linmin: converged after 6 iterations. iteration 81: trace = 6.740400411511883 (1.20139e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400771231 (1.59347e-07% change) linmin: converged after 16 iterations. iteration 83: trace = 6.740400386869953 (2.06238e-07% change) linmin: converged after 7 iterations. iteration 84: trace = 6.740400376231782 (1.57827e-07% change) linmin: converged after 7 iterations. iteration 85: trace = 6.740400359188088 (2.52859e-07% change) linmin: converged after 23 iterations. iteration 86: trace = 6.740400345751037 (1.99351e-07% change) linmin: converged after 7 iterations. iteration 87: trace = 6.740400338469485 (1.08028e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 6.740400333644134 (7.15885e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326303966 (1.08898e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316356354 (1.47582e-07% change) linmin: converged after 3 iterations. iteration 91: trace = 6.740400308733944 (1.13085e-07% change) linmin: converged after 5 iterations. iteration 92: trace = 6.740400300065566 (1.28603e-07% change) linmin: converged after 7 iterations. iteration 93: trace = 6.740400294142513 (8.78739e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 6.740400290938995 (4.75271e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.740400289529077 (2.09174e-08% change) large trace change predicted (5.3242e-08%) linmin: converged after 2 iterations. iteration 96: trace = 6.740400285940314 (5.32426e-08% change) linmin: converged after 12 iterations. iteration 97: trace = 6.740400283468649 (3.66694e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281379826 (3.09896e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.740400280637219 (1.10173e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.7404002796497 (1.46508e-08% change) linmin: converged after 16 iterations. iteration 101: trace = 6.740400278730779 (1.3633e-08% change) linmin: converged after 29 iterations. iteration 102: trace = 6.740400277986254 (1.10457e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.740400277260739 (1.07637e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.740400276416281 (1.25283e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.740400275748705 (9.9041e-09% change) linmin: converged after 13 iterations. iteration 106: trace = 6.740400275455274 (4.35332e-09% change) linmin: converged after 5 iterations. iteration 107: trace = 6.740400275281644 (2.57596e-09% change) linmin: converged after 22 iterations. iteration 108: trace = 6.740400275011923 (4.00156e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.740400274878135 (1.98487e-09% change) linmin: converged after 21 iterations. iteration 110: trace = 6.740400274750899 (1.88766e-09% change) linmin: converged after 20 iterations. iteration 111: trace = 6.740400274636951 (1.69052e-09% change) linmin: converged after 11 iterations. iteration 112: trace = 6.74040027454282 (1.39652e-09% change) linmin: converged after 6 iterations. iteration 113: trace = 6.740400274513787 (4.30728e-10% change) linmin: converged after 13 iterations. iteration 114: trace = 6.740400274462895 (7.55025e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274397404 (9.71628e-10% change) linmin: converged after 19 iterations. iteration 116: trace = 6.74040027435167 (6.78507e-10% change) linmin: converged after 12 iterations. iteration 117: trace = 6.740400274329971 (3.21913e-10% change) linmin: converged after 12 iterations. iteration 118: trace = 6.740400274300264 (4.40742e-10% change) linmin: converged after 9 iterations. iteration 119: trace = 6.74040027427553 (3.66951e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274262241 (1.97153e-10% change) linmin: converged after 12 iterations. iteration 121: trace = 6.740400274248134 (2.09289e-10% change) linmin: converged after 4 iterations. iteration 122: trace = 6.74040027423582 (1.82685e-10% change) linmin: converged after 4 iterations. iteration 123: trace = 6.740400274230122 (8.45301e-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: 0.7216262817382812 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868894561756 (0.213566% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022097859532 (0.174681% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929070049329 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085858919716 (0.0420065% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298899184147 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340703504475 (0.0289489% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043703128134 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627094571365 (0.0357548% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119979398712 (0.0519121% change) linmin: converged after 4 iterations. iteration 10: trace = 6.75163525675401 (0.036795% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275913842616 (0.0349509% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748514035543023 (0.0112889% change) large trace change predicted (0.0342028%) linmin: converged after 3 iterations. iteration 13: trace = 6.746182802192854 (0.0345504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744301253387214 (0.0278945% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003628869275 (0.0340734% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281272288031 (0.0255499% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215834939365 (0.0158083% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862256984321 (0.00524671% change) linmin: converged after 3 iterations. iteration 19: trace = 6.73833234994108 (0.00786376% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625971738113 (0.0104835% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211474384879 (0.00615217% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596697591564 (0.00912551% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116014632835 (0.00713565% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569710627169 (0.0081104% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736430284 (0.00384495% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879759572813 (0.00639897% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393376777808 (0.00722211% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901809133098 (0.00729963% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209907494645 (0.0102754% change) linmin: converged after 5 iterations. iteration 30: trace = 6.73234965260204 (0.0127771% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921757479517 (0.00635601% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146114838392 (0.0068424% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024257593041 (0.00649049% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758281390215 (0.00395157% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487896341662 (0.00401724% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155611095073 (0.00493714% change) linmin: converged after 3 iterations. iteration 37: trace = 6.72972126355817 (0.00645396% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527916186817 (0.00287308% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325307392039 (0.00301079% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238816203681 (0.0012853% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183779395769 (0.000817879% change) linmin: converged after 6 iterations. iteration 42: trace = 6.729120115637182 (0.000946089% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017040020709 (0.0015318% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962305932486 (0.000813407% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906725084051 (0.000825998% change) linmin: converged after 3 iterations. iteration 46: trace = 6.728867495942988 (0.000582996% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848429906664 (0.000283347% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839595428558 (0.000131293% change) linmin: converged after 5 iterations. iteration 49: trace = 6.728828036383319 (0.000171784% change) linmin: converged after 3 iterations. iteration 50: trace = 6.728815696153597 (0.000183394% change) linmin: converged after 6 iterations. iteration 51: trace = 6.72880830562058 (0.000109834% change) linmin: converged after 4 iterations. iteration 52: trace = 6.728797313435932 (0.00016336% change) linmin: converged after 5 iterations. iteration 53: trace = 6.728790322962288 (0.000103889% change) linmin: converged after 3 iterations. iteration 54: trace = 6.728785442530073 (7.25306e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.728781934730987 (5.21313e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421027439 (6.70806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774464387391 (4.39402e-05% change) linmin: converged after 9 iterations. iteration 58: trace = 6.728770671402769 (5.63696e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766383700355 (6.37219e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759702599734 (9.92917e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756008018565 (5.49073e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.72875132999046 (6.9523e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 6.728747963531919 (5.0031e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746082036418 (2.7962e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743717519837 (3.51405e-05% change) linmin: converged after 4 iterations. iteration 66: trace = 6.728741219038851 (3.71315e-05% change) linmin: converged after 8 iterations. iteration 67: trace = 6.728737885736026 (4.95383e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364539105 (3.74691e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.728731337984738 (5.98412e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.72873034437392 (1.47667e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.72872960776986 (1.09471e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728722987234 (1.31493e-05% change) linmin: converged after 3 iterations. iteration 73: trace = 6.728727748014585 (1.44897e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727116998245 (9.37794e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.728726357738136 (1.12839e-05% change) linmin: converged after 4 iterations. iteration 76: trace = 6.728725546067456 (1.20628e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 6.728725087750155 (6.81135e-06% change) linmin: converged after 2 iterations. iteration 78: trace = 6.728724366364244 (1.0721e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 6.72872358722023 (1.15794e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 6.728722669521229 (1.36385e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087341527 (8.65216e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.728721146582687 (1.39812e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 6.728720479314836 (9.91671e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.728720020913256 (6.81261e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.728719586507617 (6.45599e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719151518812 (6.46466e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.72871833949697 (1.2068e-05% change) linmin: converged after 6 iterations. iteration 88: trace = 6.728717407324229 (1.38536e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 6.728717032618706 (5.56875e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 6.728716493470611 (8.01264e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 6.728716172922691 (4.76388e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 6.728715871856371 (4.47435e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 6.72871560707104 (3.93515e-06% change) large trace change predicted (1.12177e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852116745 (1.12199e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.728714141926561 (1.05546e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 6.728713790469254 (5.22325e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.728713564086949 (3.36442e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 6.728713374544717 (2.81692e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.72871315826111 (3.21434e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 6.728713034157771 (1.84438e-06% change) large trace change predicted (4.57983e-06%) linmin: converged after 9 iterations. iteration 101: trace = 6.728712725995033 (4.57982e-06% change) linmin: converged after 2 iterations. iteration 102: trace = 6.728712544574786 (2.69621e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.728712456539248 (1.30836e-06% change) linmin: converged after 19 iterations. iteration 104: trace = 6.728712395320428 (9.09815e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 6.728712336808206 (8.6959e-07% change) linmin: converged after 5 iterations. iteration 106: trace = 6.728712234630183 (1.51854e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.728712175439821 (8.79669e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079397628 (1.42735e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.728712038543444 (6.07162e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 6.728712017201673 (3.17175e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 6.728711999264673 (2.66574e-07% change) linmin: converged after 5 iterations. iteration 112: trace = 6.728711988069817 (1.66374e-07% change) large trace change predicted (5.38226e-07%) linmin: converged after 5 iterations. iteration 113: trace = 6.728711951855484 (5.38206e-07% change) linmin: converged after 4 iterations. iteration 114: trace = 6.728711933632973 (2.70817e-07% change) linmin: converged after 4 iterations. iteration 115: trace = 6.728711913488169 (2.99386e-07% change) linmin: converged after 7 iterations. iteration 116: trace = 6.72871190080688 (1.88465e-07% change) linmin: converged after 7 iterations. iteration 117: trace = 6.728711891984315 (1.31118e-07% change) linmin: converged after 3 iterations. iteration 118: trace = 6.728711886212583 (8.57777e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.728711875102345 (1.65117e-07% change) linmin: converged after 19 iterations. iteration 120: trace = 6.72871186065501 (2.14712e-07% change) linmin: converged after 8 iterations. iteration 121: trace = 6.728711851906814 (1.30013e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711845976211 (8.81388e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840102187 (8.72979e-08% change) linmin: converged after 3 iterations. iteration 124: trace = 6.728711834480055 (8.35544e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 6.728711831284315 (4.74941e-08% change) large trace change predicted (1.17261e-07%) linmin: converged after 3 iterations. iteration 126: trace = 6.728711823394237 (1.1726e-07% change) linmin: converged after 3 iterations. iteration 127: trace = 6.728711817715899 (8.43897e-08% change) linmin: converged after 3 iterations. iteration 128: trace = 6.728711814545341 (4.71198e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812179677 (3.51578e-08% change) large trace change predicted (8.43572e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806503583 (8.43563e-08% change) large trace change predicted (2.30065e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791024086 (2.30051e-07% change) linmin: converged after 13 iterations. iteration 132: trace = 6.728711774592464 (2.44202e-07% change) linmin: converged after 6 iterations. iteration 133: trace = 6.728711761313651 (1.97346e-07% change) linmin: converged after 15 iterations. iteration 134: trace = 6.728711750477235 (1.61047e-07% change) large trace change predicted (4.61682e-07%) linmin: converged after 4 iterations. iteration 135: trace = 6.728711719412686 (4.61672e-07% change) large trace change predicted (9.46138e-07%) linmin: converged after 3 iterations. iteration 136: trace = 6.728711655745908 (9.46196e-07% change) large trace change predicted (2.05255e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.72871151760072 (2.05307e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728455612532036 (0.00380325% change) linmin: converged after 5 iterations. iteration 139: trace = 6.72845477912518 (1.23863e-05% change) resetting CG direction... large trace change predicted (0.0189297%) linmin: converged after 5 iterations. iteration 140: trace = 6.727182327111736 (0.0189133% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726299471168846 (0.0131246% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725635969876103 (0.00986477% change) linmin: converged after 5 iterations. iteration 143: trace = 6.724685377187572 (0.0141349% change) linmin: converged after 5 iterations. iteration 144: trace = 6.724133330083055 (0.0082096% change) large trace change predicted (0.0171562%) linmin: converged after 3 iterations. iteration 145: trace = 6.722973794892795 (0.0172459% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721485621133838 (0.0221381% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720346345352626 (0.0169512% change) linmin: converged after 4 iterations. iteration 148: trace = 6.719989858993058 (0.00530472% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719510680923915 (0.00713089% change) linmin: converged after 3 iterations. iteration 150: trace = 6.718980140174779 (0.00789584% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718449806680475 (0.00789338% change) linmin: converged after 4 iterations. iteration 152: trace = 6.71772606218937 (0.0107731% change) linmin: converged after 5 iterations. iteration 153: trace = 6.717054313408507 (0.0100001% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716295237212367 (0.0113014% change) linmin: converged after 3 iterations. iteration 155: trace = 6.715943111232894 (0.005243% change) large trace change predicted (0.0125295%) linmin: converged after 4 iterations. iteration 156: trace = 6.715108776941975 (0.012424% change) linmin: converged after 4 iterations. iteration 157: trace = 6.71423638836867 (0.0129923% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713503133059845 (0.0109215% change) large trace change predicted (0.0266079%) linmin: converged after 4 iterations. iteration 159: trace = 6.711719331567473 (0.0265739% change) linmin: converged after 7 iterations. iteration 160: trace = 6.709706481994446 (0.0299946% change) linmin: converged after 4 iterations. iteration 161: trace = 6.70766899384598 (0.0303709% change) linmin: converged after 4 iterations. iteration 162: trace = 6.706395647362942 (0.0189852% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704098646677664 (0.0342568% change) linmin: converged after 4 iterations. iteration 164: trace = 6.702528235233215 (0.0234274% change) large trace change predicted (0.0528153%) linmin: converged after 5 iterations. iteration 165: trace = 6.699094220494626 (0.0512477% change) linmin: converged after 5 iterations. iteration 166: trace = 6.69528242497002 (0.0569164% change) linmin: converged after 6 iterations. iteration 167: trace = 6.691348642452727 (0.0587718% change) linmin: converged after 6 iterations. iteration 168: trace = 6.687719621241007 (0.0542492% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685739983493502 (0.0296055% change) linmin: converged after 3 iterations. iteration 170: trace = 6.684455635028102 (0.0192121% change) linmin: converged after 3 iterations. iteration 171: trace = 6.682974133859655 (0.0221658% change) linmin: converged after 3 iterations. iteration 172: trace = 6.681940912528768 (0.0154617% change) linmin: converged after 5 iterations. iteration 173: trace = 6.681084770560249 (0.0128136% change) linmin: converged after 4 iterations. iteration 174: trace = 6.67970035422904 (0.0207236% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678201073651787 (0.0224478% change) linmin: converged after 4 iterations. iteration 176: trace = 6.676815853159746 (0.0207446% change) linmin: converged after 4 iterations. iteration 177: trace = 6.674980260576841 (0.0274958% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673011495981964 (0.029499% change) linmin: converged after 4 iterations. iteration 179: trace = 6.671101800743234 (0.0286223% change) linmin: converged after 4 iterations. iteration 180: trace = 6.669499722953774 (0.0240181% change) linmin: converged after 4 iterations. iteration 181: trace = 6.668410911847893 (0.0163266% change) linmin: converged after 4 iterations. iteration 182: trace = 6.667342381864346 (0.016025% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666216424602033 (0.0168891% change) linmin: converged after 4 iterations. iteration 184: trace = 6.665554827706494 (0.00992512% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665106293874628 (0.00672936% change) linmin: converged after 4 iterations. iteration 186: trace = 6.664528835344536 (0.00866428% change) linmin: converged after 4 iterations. iteration 187: trace = 6.663957288068281 (0.00857633% change) linmin: converged after 3 iterations. iteration 188: trace = 6.663542183959137 (0.00622929% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663082759104757 (0.00689484% change) linmin: converged after 4 iterations. iteration 190: trace = 6.662460864341498 (0.00933387% change) linmin: converged after 4 iterations. iteration 191: trace = 6.661699427146337 (0.0114294% change) linmin: converged after 4 iterations. iteration 192: trace = 6.660790647771726 (0.0136428% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660009515564351 (0.011728% change) linmin: converged after 3 iterations. iteration 194: trace = 6.659479416569215 (0.00795975% change) linmin: converged after 3 iterations. iteration 195: trace = 6.658939745613951 (0.00810413% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658371335571489 (0.00853641% change) linmin: converged after 3 iterations. iteration 197: trace = 6.658028192771436 (0.00515369% change) linmin: converged after 3 iterations. iteration 198: trace = 6.65780389832038 (0.00336884% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657527938522096 (0.00414499% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657210110490546 (0.00477408% change) linmin: converged after 3 iterations. iteration 201: trace = 6.656939773203598 (0.0040609% change) linmin: converged after 3 iterations. iteration 202: trace = 6.65663275280087 (0.00461214% change) linmin: converged after 4 iterations. iteration 203: trace = 6.656220181129199 (0.0061981% change) linmin: converged after 3 iterations. iteration 204: trace = 6.655787210539536 (0.00650496% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655354811029838 (0.00649681% change) linmin: converged after 3 iterations. iteration 206: trace = 6.654965899747946 (0.00584376% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654688657768218 (0.00416603% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654418905049741 (0.00405366% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654089275950134 (0.00495366% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 6.65353050680927 (0.00839773% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652818155630912 (0.0107069% change) linmin: converged after 4 iterations. iteration 212: trace = 6.651859015156793 (0.0144181% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651104171634607 (0.0113485% change) linmin: converged after 4 iterations. iteration 214: trace = 6.650627750983518 (0.00716329% change) large trace change predicted (0.0177726%) linmin: converged after 3 iterations. iteration 215: trace = 6.649437249189945 (0.0179022% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648413225964701 (0.0154013% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647960793560716 (0.00680535% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647543225011817 (0.00628135% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647045240060661 (0.00749154% change) linmin: converged after 9 iterations. iteration 220: trace = 6.646132649523531 (0.0137302% change) linmin: converged after 3 iterations. iteration 221: trace = 6.645487984623257 (0.00970032% change) linmin: converged after 4 iterations. iteration 222: trace = 6.644378773638831 (0.0166926% change) linmin: converged after 6 iterations. iteration 223: trace = 6.643944767391035 (0.00653214% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643664019338058 (0.00422571% change) linmin: converged after 3 iterations. iteration 225: trace = 6.64332820593677 (0.00505477% change) large trace change predicted (0.0103065%) linmin: converged after 4 iterations. iteration 226: trace = 6.642643324643781 (0.0103098% change) linmin: converged after 4 iterations. iteration 227: trace = 6.642051208593299 (0.00891426% change) linmin: converged after 4 iterations. iteration 228: trace = 6.64157854661328 (0.00711646% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641038717103832 (0.00812836% change) linmin: converged after 4 iterations. iteration 230: trace = 6.640707914272707 (0.00498132% change) linmin: converged after 3 iterations. iteration 231: trace = 6.640453786039423 (0.0038269% change) linmin: converged after 5 iterations. iteration 232: trace = 6.64016316627796 (0.0043766% change) linmin: converged after 4 iterations. iteration 233: trace = 6.639743713274357 (0.00631711% change) linmin: converged after 5 iterations. iteration 234: trace = 6.639544583635618 (0.0029991% change) linmin: converged after 4 iterations. iteration 235: trace = 6.639282699782756 (0.00394438% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639199970545302 (0.00124606% change) linmin: converged after 3 iterations. iteration 237: trace = 6.639142258329993 (0.000869268% change) linmin: converged after 3 iterations. iteration 238: trace = 6.639077815760677 (0.000970651% change) linmin: converged after 3 iterations. iteration 239: trace = 6.63900571480012 (0.00108601% change) linmin: converged after 3 iterations. iteration 240: trace = 6.638961920800485 (0.000659649% change) linmin: converged after 4 iterations. iteration 241: trace = 6.638889265379303 (0.00109439% change) linmin: converged after 9 iterations. iteration 242: trace = 6.638839156673328 (0.000754778% change) linmin: converged after 6 iterations. iteration 243: trace = 6.638817271016363 (0.000329661% change) linmin: converged after 4 iterations. iteration 244: trace = 6.638804458011224 (0.000193002% change) linmin: converged after 7 iterations. iteration 245: trace = 6.63879256208756 (0.000179188% change) linmin: converged after 5 iterations. iteration 246: trace = 6.638785642117927 (0.000104235% change) linmin: converged after 4 iterations. iteration 247: trace = 6.638774357143365 (0.000169986% change) linmin: converged after 4 iterations. iteration 248: trace = 6.638762419902748 (0.000179811% change) linmin: converged after 3 iterations. iteration 249: trace = 6.638756892922508 (8.32532e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 6.638752819643989 (6.13561e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 6.63874927416594 (5.34058e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638747235213456 (3.07129e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.63874557978159 (2.49359e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 6.638743011193025 (3.86909e-05% change) linmin: converged after 6 iterations. iteration 255: trace = 6.638741044421006 (2.96257e-05% change) linmin: converged after 6 iterations. iteration 256: trace = 6.638739280427623 (2.65712e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738498218535 (1.17825e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 6.638737828200221 (1.00926e-05% change) linmin: converged after 4 iterations. iteration 259: trace = 6.638737464213616 (5.48277e-06% change) large trace change predicted (1.11011e-05%) linmin: converged after 3 iterations. iteration 260: trace = 6.638736727271766 (1.11006e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 6.638736181512872 (8.22082e-06% change) linmin: converged after 4 iterations. iteration 262: trace = 6.638735682437151 (7.51763e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 6.638735297469644 (5.79881e-06% change) linmin: converged after 4 iterations. iteration 264: trace = 6.638735062412199 (3.5407e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 6.638734959978824 (1.54297e-06% change) linmin: converged after 11 iterations. iteration 266: trace = 6.638734784019256 (2.6505e-06% change) linmin: converged after 6 iterations. iteration 267: trace = 6.638734592568151 (2.88385e-06% change) linmin: converged after 13 iterations. iteration 268: trace = 6.638734439874332 (2.30004e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 6.638734297757939 (2.14072e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 6.638734209238205 (1.33338e-06% change) linmin: converged after 22 iterations. iteration 271: trace = 6.638734172736284 (5.49833e-07% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734126806183 (6.9185e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734049139085 (1.16991e-06% change) linmin: converged after 6 iterations. iteration 274: trace = 6.638733996458739 (7.9353e-07% change) linmin: converged after 17 iterations. iteration 275: trace = 6.638733928256021 (1.02735e-06% change) linmin: converged after 8 iterations. iteration 276: trace = 6.638733864854569 (9.55023e-07% change) linmin: converged after 5 iterations. iteration 277: trace = 6.638733827572725 (5.61581e-07% change) linmin: converged after 11 iterations. iteration 278: trace = 6.638733802915664 (3.71412e-07% change) linmin: converged after 7 iterations. iteration 279: trace = 6.638733768579168 (5.17215e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 6.638733756338033 (1.8439e-07% change) linmin: converged after 3 iterations. iteration 281: trace = 6.638733742254126 (2.12147e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 6.638733724900183 (2.61404e-07% change) linmin: converged after 8 iterations. iteration 283: trace = 6.638733705213524 (2.96542e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733691658619 (2.04179e-07% change) linmin: converged after 5 iterations. iteration 285: trace = 6.638733669490968 (3.33914e-07% change) linmin: converged after 7 iterations. iteration 286: trace = 6.638733650986479 (2.78735e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642951382 (1.21034e-07% change) linmin: converged after 18 iterations. iteration 288: trace = 6.638733629612545 (2.00924e-07% change) linmin: converged after 10 iterations. iteration 289: trace = 6.638733611583582 (2.71572e-07% change) linmin: converged after 10 iterations. iteration 290: trace = 6.638733588865441 (3.42206e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733574592166 (2.15e-07% change) linmin: converged after 21 iterations. iteration 292: trace = 6.63873355337761 (3.19557e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733545016619 (1.25943e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 6.638733539502492 (8.30599e-08% change) linmin: converged after 4 iterations. iteration 295: trace = 6.638733533293647 (9.35245e-08% change) linmin: converged after 9 iterations. iteration 296: trace = 6.6387335213748 (1.79535e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 6.638733507025406 (2.16147e-07% change) linmin: converged after 5 iterations. iteration 298: trace = 6.638733498379596 (1.30233e-07% change) linmin: converged after 5 iterations. iteration 299: trace = 6.638733494484282 (5.86756e-08% change) linmin: converged after 13 iterations. iteration 300: trace = 6.638733490927248 (5.358e-08% change) linmin: converged after 7 iterations. iteration 301: trace = 6.638733485200473 (8.62631e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733476865669 (1.25548e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733473190711 (5.53563e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733468883077 (6.48864e-08% change) linmin: converged after 7 iterations. iteration 305: trace = 6.638733466908565 (2.97423e-08% change) linmin: converged after 4 iterations. iteration 306: trace = 6.638733465375948 (2.3086e-08% change) linmin: converged after 14 iterations. iteration 307: trace = 6.638733464134324 (1.87027e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733462306688 (2.75299e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733460482195 (2.74826e-08% change) linmin: converged after 4 iterations. iteration 310: trace = 6.63873345961143 (1.31164e-08% change) linmin: converged after 4 iterations. iteration 311: trace = 6.638733458642567 (1.45941e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733458134778 (7.64888e-09% change) linmin: converged after 5 iterations. iteration 313: trace = 6.638733457645783 (7.3658e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457352856 (4.41239e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345684477 (7.65336e-09% change) linmin: converged after 5 iterations. iteration 316: trace = 6.638733456403953 (6.64008e-09% change) linmin: converged after 4 iterations. iteration 317: trace = 6.638733456152282 (3.79094e-09% change) linmin: converged after 4 iterations. iteration 318: trace = 6.638733456030275 (1.83781e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455903995 (1.90217e-09% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455817198 (1.30742e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.638733455756419 (9.1552e-10% change) linmin: converged after 3 iterations. iteration 322: trace = 6.638733455702256 (8.15875e-10% change) linmin: converged after 5 iterations. iteration 323: trace = 6.638733455632201 (1.05525e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455567437 (9.75537e-10% change) linmin: converged after 2 iterations. iteration 325: trace = 6.638733455543287 (3.63781e-10% change) linmin: converged after 3 iterations. iteration 326: trace = 6.638733455532377 (1.64331e-10% change) linmin: converged after 3 iterations. iteration 327: trace = 6.638733455516046 (2.45995e-10% change) linmin: converged after 4 iterations. iteration 328: trace = 6.638733455504073 (1.80359e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455493956 (1.52397e-10% change) linmin: converged after 6 iterations. iteration 330: trace = 6.638733455486666 (1.09799e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.63873345548043 (9.39321e-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: 1.9270670413970947 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.626057620494977 (0.100232% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613126482808 (0.0519976% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673744694375 (0.0292885% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597684089716 (0.0162544% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315086898861 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219271073397 (0.0165587% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295852367035 (0.0290711% change) linmin: converged after 4 iterations. iteration 8: trace = 6.61417947460509 (0.0168771% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750790278417 (0.0064815% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492231709061 (0.00390949% change) linmin: converged after 5 iterations. iteration 11: trace = 6.613099991406017 (0.00593109% change) linmin: converged after 4 iterations. iteration 12: trace = 6.612508174275854 (0.00894956% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911605435617 (0.00902223% change) linmin: converged after 3 iterations. iteration 14: trace = 6.611621978609148 (0.00438048% change) linmin: converged after 3 iterations. iteration 15: trace = 6.61152879661069 (0.00140938% change) linmin: converged after 4 iterations. iteration 16: trace = 6.611478379278624 (0.00076257% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426400397185 (0.000786195% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356798514873 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368975563 (0.000717398% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277607452 (0.00110556% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239700009 (0.000787116% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390617158 (0.000406117% change) linmin: converged after 6 iterations. iteration 23: trace = 6.611149761229047 (0.000115402% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418246711 (0.0001867% change) linmin: converged after 4 iterations. iteration 25: trace = 6.611117109676448 (0.000307188% change) linmin: converged after 8 iterations. iteration 26: trace = 6.611106887867352 (0.000154616% change) linmin: converged after 7 iterations. iteration 27: trace = 6.611093350475041 (0.000204768% change) linmin: converged after 5 iterations. iteration 28: trace = 6.611088832485065 (6.83396e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.61108683176395 (3.02631e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.611085128924971 (2.57573e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.611082646646197 (3.75472e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563818122 (6.17573e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155557211 (2.13015e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809316514 (2.03634e-05% change) linmin: converged after 9 iterations. iteration 35: trace = 6.611075193967333 (9.30785e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.611074698880083 (7.48876e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 6.611074407551921 (4.40667e-06% change) large trace change predicted (9.33295e-06%) linmin: converged after 9 iterations. iteration 38: trace = 6.611073790582134 (9.33237e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203369893 (8.88225e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.611073052540952 (2.28146e-06% change) linmin: converged after 15 iterations. iteration 41: trace = 6.611072941977674 (1.6724e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072861004637 (1.22481e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 6.61107280858274 (7.92941e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776030954 (4.92383e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.611072738168386 (5.72714e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 6.611072698875848 (5.94344e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 6.611072683717714 (2.29284e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.611072672237301 (1.73654e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758709 (1.43374e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.61107265697399 (8.75005e-08% change) linmin: converged after 8 iterations. iteration 51: trace = 6.611072652142187 (7.30865e-08% change) linmin: converged after 5 iterations. iteration 52: trace = 6.611072646470036 (8.57977e-08% change) linmin: converged after 19 iterations. iteration 53: trace = 6.611072641171591 (8.0145e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640189413 (1.48566e-08% change) linmin: converged after 4 iterations. iteration 55: trace = 6.611072639602241 (8.88163e-09% change) linmin: converged after 21 iterations. iteration 56: trace = 6.61107263921562 (5.84809e-09% change) linmin: converged after 4 iterations. iteration 57: trace = 6.611072638759226 (6.90348e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 6.611072638472151 (4.34234e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 6.611072638036753 (6.58588e-09% change) linmin: converged after 21 iterations. iteration 60: trace = 6.611072637784839 (3.81049e-09% change) linmin: converged after 16 iterations. iteration 61: trace = 6.611072637653132 (1.99222e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.611072637585758 (1.01912e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 6.611072637534616 (7.73571e-10% change) linmin: converged after 7 iterations. iteration 64: trace = 6.611072637495112 (5.97549e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473879 (3.2117e-10% change) large trace change predicted (1.05703e-09%) linmin: converged after 9 iterations. iteration 66: trace = 6.611072637403993 (1.05711e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.61107263737826 (3.89244e-10% change) linmin: converged after 3 iterations. iteration 68: trace = 6.611072637366694 (1.74947e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361763 (7.45761e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 0.40578365325927734 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548450697246 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465328255 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588152273 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417678721 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.68057897415484 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730984548 (0.0423443% change) linmin: converged after 4 iterations. iteration 7: trace = 6.674361515607246 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248951057 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.67035707388253 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273270586 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878122467 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347483382 (0.00728184% change) large trace change predicted (0.0240835%) linmin: converged after 3 iterations. iteration 13: trace = 6.665843395804814 (0.0240444% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522489406 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786977709 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117103061 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208990162 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367728647 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138462022 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 5 iterations. iteration 20: trace = 6.662160849212027 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.661974209878505 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520808619 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.6614997208688 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436797187 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968897884 (0.00105786% change) linmin: converged after 5 iterations. iteration 26: trace = 6.661273357518132 (0.000864867% change) linmin: converged after 3 iterations. iteration 27: trace = 6.661214838069622 (0.000878506% change) linmin: converged after 4 iterations. iteration 28: trace = 6.66115775937144 (0.000856885% change) linmin: converged after 16 iterations. iteration 29: trace = 6.661112661277841 (0.000677033% change) linmin: converged after 12 iterations. iteration 30: trace = 6.661070300455188 (0.000635944% change) linmin: converged after 7 iterations. iteration 31: trace = 6.661058308095186 (0.000180037% change) linmin: converged after 4 iterations. iteration 32: trace = 6.661042292616671 (0.000240435% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283422302 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012970038681 (0.000229895% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272851032 (0.00019062% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66098105771455 (0.000288473% change) linmin: converged after 3 iterations. iteration 37: trace = 6.66097484643405 (9.32488e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.660970536549605 (6.47035e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.660965329903084 (7.81665e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.660960399217141 (7.40236e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.660955690712223 (7.06881e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410715819 (6.4255e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058611444 (5.03247e-05% change) linmin: converged after 10 iterations. iteration 44: trace = 6.660947085965647 (1.46022e-05% change) large trace change predicted (2.98585e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097035932 (2.98596e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821792785 (1.91451e-05% change) linmin: converged after 8 iterations. iteration 47: trace = 6.660942440537547 (2.07366e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 6.660941469358377 (1.45802e-05% change) linmin: converged after 9 iterations. iteration 49: trace = 6.660940204105689 (1.89951e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 6.660939460761348 (1.11598e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.660938948019672 (7.69774e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.660938435137035 (7.69986e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003150241 (6.48537e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.660937690918812 (4.6875e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.660937258478576 (6.49218e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.660937080983507 (2.66472e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 6.660937039758156 (6.18912e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.660936992662055 (7.07049e-07% change) linmin: converged after 8 iterations. iteration 59: trace = 6.660936943515173 (7.37837e-07% change) linmin: converged after 14 iterations. iteration 60: trace = 6.660936890551621 (7.95137e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 6.660936833463546 (8.57058e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 6.660936777956312 (8.33325e-07% change) linmin: converged after 3 iterations. iteration 63: trace = 6.660936765950669 (1.8024e-07% change) linmin: converged after 13 iterations. iteration 64: trace = 6.660936755016479 (1.64154e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.660936746504889 (1.27784e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740712755 (8.69567e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 6.660936737170026 (5.31866e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929397 (9.369e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.660936726677886 (6.38275e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.660936725044449 (2.45226e-08% change) linmin: converged after 3 iterations. iteration 71: trace = 6.660936723760125 (1.92814e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.660936722383197 (2.06717e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.660936721386933 (1.49568e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720553681 (1.25095e-08% change) linmin: converged after 6 iterations. iteration 75: trace = 6.660936719204672 (2.02525e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718306758 (1.34803e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.660936717517901 (1.1843e-08% change) linmin: converged after 16 iterations. iteration 78: trace = 6.660936716875986 (9.63701e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.66093671638297 (7.40159e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716200434 (2.74039e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 6.660936715851852 (5.23324e-09% change) linmin: converged after 25 iterations. iteration 82: trace = 6.660936715504896 (5.20882e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305283 (2.99677e-09% change) linmin: converged after 25 iterations. iteration 84: trace = 6.660936715088249 (3.2583e-09% change) linmin: converged after 6 iterations. iteration 85: trace = 6.660936714937209 (2.26755e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.66093671483393 (1.55052e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.660936714752606 (1.22091e-09% change) linmin: converged after 8 iterations. iteration 88: trace = 6.660936714698563 (8.11342e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617685 (1.21422e-09% change) linmin: converged after 17 iterations. iteration 90: trace = 6.660936714577195 (6.07863e-10% change) linmin: converged after 9 iterations. iteration 91: trace = 6.660936714542663 (5.18431e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 6.66093671452318 (2.92498e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 6.660936714512308 (1.6321e-10% change) linmin: converged after 7 iterations. iteration 94: trace = 6.660936714494092 (2.73483e-10% change) linmin: converged after 18 iterations. iteration 95: trace = 6.660936714476113 (2.6991e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714460309 (2.37268e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.660936714455183 (7.69513e-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: 0.5688304901123047 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693017208109 (0.25821% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914961701834 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.8034925962326 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487274288505 (0.073597% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361675562998 (0.0754217% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739195795245 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.78264878663999 (0.0455531% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936770194704 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502069710002 (0.124558% change) linmin: converged after 5 iterations. iteration 10: trace = 6.76322651774559 (0.0631977% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059628579385 (0.0912242% change) linmin: converged after 4 iterations. iteration 12: trace = 6.751376335993757 (0.0841443% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749200931166567 (0.0322268% change) large trace change predicted (0.098765%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591263983803 (0.0979806% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640382826808 (0.0289379% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712684722542 (0.043443% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520751506272 (0.0473854% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582910248322 (0.0287789% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242224459929 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109255756887 (0.0168379% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644075252516 (0.0217794% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872536807032 (0.0114705% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359728800651 (0.0076247% change) linmin: converged after 3 iterations. iteration 24: trace = 6.724756248311063 (0.00897361% change) linmin: converged after 4 iterations. iteration 25: trace = 6.7242313053107 (0.00780643% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530381332598 (0.0104244% change) linmin: converged after 4 iterations. iteration 27: trace = 6.72305353579579 (0.00709244% change) linmin: converged after 4 iterations. iteration 28: trace = 6.72265881863575 (0.00587127% change) linmin: converged after 4 iterations. iteration 29: trace = 6.722318016870271 (0.00506958% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110934360552 (0.00308057% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805719628224 (0.00454056% change) linmin: converged after 3 iterations. iteration 32: trace = 6.72165454038865 (0.00224911% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517297783834 (0.00204182% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358425118166 (0.00236367% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272058063197 (0.00128497% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179699166091 (0.00137414% change) linmin: converged after 4 iterations. iteration 37: trace = 6.721123295807936 (0.000839192% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064007742236 (0.000882119% change) linmin: converged after 3 iterations. iteration 39: trace = 6.72097092087002 (0.00138501% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931115538289 (0.000592257% change) large trace change predicted (0.00161289%) linmin: converged after 5 iterations. iteration 41: trace = 6.720822625073012 (0.00161423% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798455955431 (0.000359616% change) large trace change predicted (0.000726896%) linmin: converged after 4 iterations. iteration 43: trace = 6.720749733766366 (0.000724949% change) linmin: converged after 3 iterations. iteration 44: trace = 6.720722597039881 (0.000403776% change) linmin: converged after 5 iterations. iteration 45: trace = 6.720705195143765 (0.000258929% change) large trace change predicted (0.000642163%) linmin: converged after 5 iterations. iteration 46: trace = 6.720662126792548 (0.000640833% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647154498598 (0.00022278% change) linmin: converged after 4 iterations. iteration 48: trace = 6.72062043302607 (0.000397603% change) linmin: converged after 5 iterations. iteration 49: trace = 6.720599309599986 (0.000314308% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588137365055 (0.000166239% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572436621251 (0.000233622% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560499397283 (0.000177622% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778242804 (0.000144648% change) linmin: converged after 3 iterations. iteration 54: trace = 6.720542013016708 (0.000130424% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071646672 (5.86466e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533814739468 (6.33418e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531115770584 (4.016e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587060401 (5.25064e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.720523741211025 (5.72254e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.720520451968262 (4.89433e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.720515635354287 (7.16703e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 6.720513695468099 (2.88651e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.72051133960888 (3.50548e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233359968 (1.64608e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 6.720509525519543 (1.05325e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403248748 (1.66992e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 6.720507795395156 (9.04476e-06% change) large trace change predicted (2.55085e-05%) linmin: converged after 3 iterations. iteration 68: trace = 6.720506081141613 (2.55078e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.720505165966127 (1.36177e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.720504632302556 (7.94083e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757844022 (1.30118e-05% change) linmin: converged after 15 iterations. iteration 72: trace = 6.720503154978902 (8.97054e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.720502824854046 (4.9122e-06% change) linmin: converged after 8 iterations. iteration 74: trace = 6.720502267064615 (8.29982e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.720501617680343 (9.66273e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72050132574036 (4.34402e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.720500923027681 (5.9923e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.720500448330174 (7.06342e-06% change) linmin: converged after 4 iterations. iteration 79: trace = 6.720500087213447 (5.37336e-06% change) linmin: converged after 4 iterations. iteration 80: trace = 6.720499710684663 (5.60269e-06% change) linmin: converged after 22 iterations. iteration 81: trace = 6.720499408614479 (4.49476e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351256553 (8.53477e-07% change) linmin: converged after 2 iterations. iteration 83: trace = 6.720499245527904 (1.57323e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132630193 (1.6799e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.720498945756275 (2.78066e-06% change) linmin: converged after 4 iterations. iteration 86: trace = 6.720498852637848 (1.38559e-06% change) linmin: converged after 7 iterations. iteration 87: trace = 6.720498761806799 (1.35155e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498673535045 (1.31347e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 6.72049865351342 (2.97919e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625572545 (4.15756e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.720498602030521 (3.50302e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.720498577123617 (3.70611e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.720498560431867 (2.48371e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.720498532209185 (4.19949e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.720498515844808 (2.43499e-07% change) linmin: converged after 7 iterations. iteration 96: trace = 6.720498508767199 (1.05314e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499078233 (1.4417e-07% change) linmin: converged after 5 iterations. iteration 98: trace = 6.720498492456153 (9.85355e-08% change) linmin: converged after 6 iterations. iteration 99: trace = 6.720498490231268 (3.3106e-08% change) linmin: converged after 5 iterations. iteration 100: trace = 6.720498486341691 (5.78763e-08% change) linmin: converged after 19 iterations. iteration 101: trace = 6.720498482648972 (5.49471e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.720498480432039 (3.29876e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478111522 (3.45289e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474203783 (5.81466e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 6.720498473240487 (1.43337e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 6.720498471875248 (2.03145e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498470954793 (1.36962e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.72049847030411 (9.68207e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469396117 (1.35108e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.720498468528084 (1.29162e-08% change) linmin: converged after 22 iterations. iteration 111: trace = 6.720498468211312 (4.71351e-09% change) linmin: converged after 3 iterations. iteration 112: trace = 6.720498467648213 (8.37884e-09% change) linmin: converged after 21 iterations. iteration 113: trace = 6.720498466969858 (1.00938e-08% change) linmin: converged after 7 iterations. iteration 114: trace = 6.720498466674119 (4.40054e-09% change) linmin: converged after 14 iterations. iteration 115: trace = 6.720498466438764 (3.50204e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 6.720498466248166 (2.83607e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 6.720498466097222 (2.24603e-09% change) linmin: converged after 8 iterations. iteration 118: trace = 6.720498466030781 (9.88633e-10% change) large trace change predicted (2.34768e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873002 (2.34772e-09% change) linmin: converged after 5 iterations. iteration 120: trace = 6.720498465792095 (1.20389e-09% change) linmin: converged after 21 iterations. iteration 121: trace = 6.720498465746592 (6.77067e-10% change) linmin: converged after 15 iterations. iteration 122: trace = 6.720498465698609 (7.13992e-10% change) linmin: converged after 15 iterations. iteration 123: trace = 6.720498465621247 (1.15112e-09% change) linmin: converged after 3 iterations. iteration 124: trace = 6.720498465595291 (3.86223e-10% change) linmin: converged after 15 iterations. iteration 125: trace = 6.720498465572993 (3.318e-10% change) linmin: converged after 6 iterations. iteration 126: trace = 6.720498465558284 (2.18856e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.72049846555446 (5.69079e-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: 0.7429895401000977 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955562928744 (0.370676% change) linmin: converged after 8 iterations. iteration 2: trace = 6.786471668016924 (0.286688% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412334616126 (0.296016% change) linmin: converged after 8 iterations. iteration 4: trace = 6.762821517377909 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550630673623 (0.166799% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349024355771 (0.0918968% change) linmin: converged after 4 iterations. iteration 7: trace = 6.74135156175338 (0.0592801% change) linmin: converged after 3 iterations. iteration 8: trace = 6.73781499530485 (0.0524746% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500225957172 (0.0195152% change) large trace change predicted (0.0500712%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113221246308 (0.050291% change) linmin: converged after 4 iterations. iteration 11: trace = 6.731523269016685 (0.0236167% change) linmin: converged after 3 iterations. iteration 12: trace = 6.72917215108513 (0.0349331% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626313331539 (0.03784% change) linmin: converged after 4 iterations. iteration 14: trace = 6.72526694814056 (0.0202108% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631929555883 (0.0391886% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297250368137 (0.0198555% change) linmin: converged after 3 iterations. iteration 17: trace = 6.718798670863051 (0.037181% change) linmin: converged after 3 iterations. iteration 18: trace = 6.717806138049131 (0.0147736% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974622663739 (0.0123785% change) linmin: converged after 3 iterations. iteration 20: trace = 6.716373022360233 (0.00895682% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154278487252 (0.00325693% change) large trace change predicted (0.0101657%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471624728676 (0.0101649% change) linmin: converged after 4 iterations. iteration 23: trace = 6.715183454624158 (0.00429123% change) large trace change predicted (0.0113966%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417832318219 (0.011402% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023750193567 (0.00586936% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806563698491 (0.00323487% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579671509911 (0.00337954% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511732418807 (0.00101197% change) large trace change predicted (0.00208784%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371329185268 (0.00209137% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315053336248 (0.000838269% change) large trace change predicted (0.00185114%) linmin: converged after 6 iterations. iteration 31: trace = 6.713190941678135 (0.00184876% change) linmin: converged after 4 iterations. iteration 32: trace = 6.713118662949396 (0.00107667% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048702456197 (0.00104215% change) linmin: converged after 4 iterations. iteration 34: trace = 6.712960186571246 (0.00131857% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421130598 (0.000309334% change) large trace change predicted (0.00071383%) linmin: converged after 4 iterations. iteration 36: trace = 6.712891502854644 (0.000713822% change) linmin: converged after 3 iterations. iteration 37: trace = 6.712883798813513 (0.000114765% change) large trace change predicted (0.000489864%) linmin: converged after 5 iterations. iteration 38: trace = 6.712850923537964 (0.000489735% change) linmin: converged after 17 iterations. iteration 39: trace = 6.712831946054455 (0.000282704% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122177292 (0.000191035% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799136904248 (0.000297718% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544479975 (6.8413e-05% change) large trace change predicted (0.000162518%) linmin: converged after 3 iterations. iteration 43: trace = 6.712783638534319 (0.000162465% change) linmin: converged after 12 iterations. iteration 44: trace = 6.712781295388652 (3.49057e-05% change) large trace change predicted (8.74452e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.712775425428213 (8.74446e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 6.712773786862236 (2.44097e-05% change) large trace change predicted (5.1525e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326702039 (5.15459e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502732814 (4.20686e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 6.71276670572763 (1.1873e-05% change) large trace change predicted (4.49241e-05%) linmin: converged after 4 iterations. iteration 50: trace = 6.712763689634836 (4.49307e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 6.712763102138238 (8.75193e-06% change) large trace change predicted (2.71667e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.712761278495808 (2.71668e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 6.712760419626184 (1.27946e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.712759718324621 (1.04473e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.712759022193954 (1.03703e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.712758847526151 (2.60203e-06% change) large trace change predicted (8.44701e-06%) linmin: converged after 3 iterations. iteration 57: trace = 6.712758280604067 (8.44544e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.712758165091206 (1.7208e-06% change) large trace change predicted (5.84606e-06%) linmin: converged after 4 iterations. iteration 59: trace = 6.712757772724152 (5.84509e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 6.712757572397931 (2.98426e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 6.712757429155298 (2.13389e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251619532 (2.64475e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.712757218526112 (4.92993e-07% change) large trace change predicted (1.75906e-06%) linmin: converged after 6 iterations. iteration 64: trace = 6.712757100439914 (1.75913e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.712757077214144 (3.45994e-07% change) large trace change predicted (7.7499e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025189743 (7.75008e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 6.712756982529514 (6.3551e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959209679 (3.47396e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913046917 (6.87687e-07% change) resetting CG direction... linmin: converged after 19 iterations. iteration 70: trace = 6.712756900877062 (1.81294e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887638629 (1.97213e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.71275688341093 (6.29801e-08% change) large trace change predicted (1.50508e-07%) linmin: converged after 12 iterations. iteration 73: trace = 6.71275687330786 (1.50506e-07% change) linmin: converged after 19 iterations. iteration 74: trace = 6.712756865412508 (1.17617e-07% change) linmin: converged after 6 iterations. iteration 75: trace = 6.712756859683109 (8.53509e-08% change) large trace change predicted (2.04361e-07%) linmin: converged after 24 iterations. iteration 76: trace = 6.712756845964888 (2.0436e-07% change) linmin: converged after 7 iterations. iteration 77: trace = 6.712756843622527 (3.48942e-08% change) large trace change predicted (1.27344e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.712756835074155 (1.27345e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.712756830487558 (6.83266e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 6.712756828639383 (2.75323e-08% change) linmin: converged after 20 iterations. iteration 81: trace = 6.712756824947974 (5.4991e-08% change) linmin: converged after 5 iterations. iteration 82: trace = 6.712756821606838 (4.97729e-08% change) linmin: converged after 6 iterations. iteration 83: trace = 6.712756819957895 (2.45643e-08% change) linmin: converged after 12 iterations. iteration 84: trace = 6.712756818925357 (1.53817e-08% change) large trace change predicted (3.12508e-08%) linmin: converged after 7 iterations. iteration 85: trace = 6.712756816827598 (3.12503e-08% change) linmin: converged after 4 iterations. iteration 86: trace = 6.712756816425909 (5.98397e-09% change) large trace change predicted (2.09825e-08%) linmin: converged after 7 iterations. iteration 87: trace = 6.712756815017419 (2.09823e-08% change) linmin: converged after 4 iterations. iteration 88: trace = 6.712756814601587 (6.19466e-09% change) linmin: converged after 12 iterations. iteration 89: trace = 6.712756814039085 (8.3796e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.712756813426791 (9.12135e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 6.712756812996636 (6.40802e-09% change) linmin: converged after 22 iterations. iteration 92: trace = 6.712756812824484 (2.56455e-09% change) large trace change predicted (6.83861e-09%) linmin: converged after 4 iterations. iteration 93: trace = 6.712756812365434 (6.83847e-09% change) linmin: converged after 4 iterations. iteration 94: trace = 6.712756811977275 (5.78241e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.712756811894042 (1.23992e-09% change) large trace change predicted (3.7171e-09%) linmin: converged after 4 iterations. iteration 96: trace = 6.712756811644525 (3.71707e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.712756811581106 (9.44748e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.712756811502445 (1.17181e-09% change) linmin: converged after 6 iterations. iteration 99: trace = 6.712756811397159 (1.56845e-09% change) linmin: converged after 4 iterations. iteration 100: trace = 6.712756811365788 (4.67339e-10% change) large trace change predicted (1.85038e-09%) linmin: converged after 5 iterations. iteration 101: trace = 6.712756811241579 (1.85034e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 6.71275681118478 (8.46122e-10% change) linmin: converged after 4 iterations. iteration 103: trace = 6.712756811156159 (4.26375e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.712756811110427 (6.81261e-10% change) linmin: converged after 12 iterations. iteration 105: trace = 6.712756811081495 (4.31006e-10% change) linmin: converged after 3 iterations. iteration 106: trace = 6.712756811075088 (9.54499e-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: 0.6209108829498291 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.8044478351434 (0.0750926% change) large trace change predicted (0.247846%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509654498768 (0.249238% change) linmin: converged after 12 iterations. iteration 3: trace = 6.784165962770588 (0.0492746% change) large trace change predicted (0.154109%) linmin: converged after 4 iterations. iteration 4: trace = 6.77384718771364 (0.152217% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519747236007 (0.0195985% change) large trace change predicted (0.0906905%) linmin: converged after 4 iterations. iteration 6: trace = 6.766221005409494 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489254010924 (0.0108154% change) large trace change predicted (0.0789849%) linmin: converged after 4 iterations. iteration 8: trace = 6.75996017364335 (0.0817582% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699812827886 (0.00385159% change) large trace change predicted (0.0309307%) linmin: converged after 3 iterations. iteration 10: trace = 6.757603788004104 (0.0310125% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757368968240837 (0.00347496% change) large trace change predicted (0.0247089%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700209858244 (0.0246984% change) linmin: converged after 4 iterations. iteration 13: trace = 6.75550475371244 (0.00289325% change) large trace change predicted (0.0128516%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652067148228 (0.0126229% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115821019064 (0.00793923% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542652422613 (0.00848657% change) large trace change predicted (0.0199713%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183278269626 (0.0201303% change) linmin: converged after 4 iterations. iteration 18: trace = 6.75208493575188 (0.00145647% change) large trace change predicted (0.015881%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015905606896 (0.0158338% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877637360235 (0.00204813% change) large trace change predicted (0.0154239%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833196948091 (0.0154724% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728269033688 (0.00155454% change) large trace change predicted (0.0115026%) linmin: converged after 8 iterations. iteration 23: trace = 6.748952010720384 (0.0115012% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764532707238 (0.00277792% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017376526 (0.00427518% change) linmin: converged after 4 iterations. iteration 26: trace = 6.74826276729166 (0.00316002% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165139926822 (0.00144671% change) large trace change predicted (0.00385794%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905812116392 (0.00384301% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846599163342 (0.000877505% change) large trace change predicted (0.00317739%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632827871498 (0.00316804% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606384649958 (0.00039189% change) large trace change predicted (0.00306599%) linmin: converged after 6 iterations. iteration 32: trace = 6.747399942257656 (0.00305954% change) linmin: converged after 5 iterations. iteration 33: trace = 6.747387711015182 (0.000181274% change) large trace change predicted (0.00242319%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225019319337 (0.00241121% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960783946 (0.000460317% change) large trace change predicted (0.00107865%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121432363463 (0.00107495% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099769037731 (0.000321076% change) large trace change predicted (0.000751319%) linmin: converged after 5 iterations. iteration 38: trace = 6.747049143717764 (0.00075033% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008134513375 (0.000607811% change) linmin: converged after 8 iterations. iteration 40: trace = 6.746998868110698 (0.000137341% change) large trace change predicted (0.000631485%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956261049553 (0.000631498% change) linmin: converged after 17 iterations. iteration 42: trace = 6.746953503606534 (4.08694e-05% change) large trace change predicted (0.000481241%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047449827 (0.00048105% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917365672457 (5.45698e-05% change) large trace change predicted (0.000269893%) linmin: converged after 3 iterations. iteration 45: trace = 6.746899160219138 (0.000269834% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895007681262 (6.15474e-05% change) large trace change predicted (0.000193055%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974548431 (0.000193172% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874480879051 (0.000111069% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868148057193 (9.38631e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.746857504130872 (0.000157761% change) linmin: converged after 5 iterations. iteration 51: trace = 6.746855517504448 (2.94452e-05% change) large trace change predicted (0.000214725%) linmin: converged after 13 iterations. iteration 52: trace = 6.746841037938518 (0.000214612% change) linmin: converged after 3 iterations. iteration 53: trace = 6.746840193319111 (1.25187e-05% change) large trace change predicted (9.31731e-05%) linmin: converged after 4 iterations. iteration 54: trace = 6.746833909874822 (9.31317e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185120688 (1.07421e-05% change) large trace change predicted (5.96401e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162775065 (5.96183e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.74682872584188 (6.47613e-06% change) large trace change predicted (2.46616e-05%) linmin: converged after 3 iterations. iteration 58: trace = 6.746827062783421 (2.46495e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.746825889422444 (1.73913e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.7468254528186 (6.47125e-06% change) large trace change predicted (2.9587e-05%) linmin: converged after 4 iterations. iteration 61: trace = 6.746823456469007 (2.95895e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.746823127186178 (4.88056e-06% change) large trace change predicted (2.68491e-05%) linmin: converged after 4 iterations. iteration 63: trace = 6.746821315813991 (2.68478e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.74682118419874 (1.95077e-06% change) large trace change predicted (1.52545e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154925574 (1.52557e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.746820081598261 (1.08684e-06% change) large trace change predicted (7.08505e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603550819 (7.08552e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452654242 (2.23656e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 6.746819257362958 (2.89457e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 6.746819149258496 (1.6023e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.746819008848828 (2.08112e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910390979 (1.45932e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745366121 (2.44597e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.7468186168483 (1.90487e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.746818399163002 (3.22649e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.746818285200208 (1.68913e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818110005857 (2.5967e-06% change) linmin: converged after 15 iterations. iteration 78: trace = 6.746818071168098 (5.75646e-07% change) large trace change predicted (1.54232e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967112386 (1.54229e-06% change) linmin: converged after 15 iterations. iteration 80: trace = 6.746817916805639 (7.45637e-07% change) linmin: converged after 5 iterations. iteration 81: trace = 6.746817907872918 (1.32399e-07% change) large trace change predicted (1.24818e-06%) linmin: converged after 3 iterations. iteration 82: trace = 6.746817823656416 (1.24824e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.746817816741741 (1.02488e-07% change) large trace change predicted (1.0307e-06%) linmin: converged after 6 iterations. iteration 84: trace = 6.746817747203361 (1.03068e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.746817736432 (1.59651e-07% change) large trace change predicted (4.77887e-07%) linmin: converged after 12 iterations. iteration 86: trace = 6.746817704190105 (4.77883e-07% change) linmin: converged after 3 iterations. iteration 87: trace = 6.746817697549723 (9.84224e-08% change) large trace change predicted (2.33383e-07%) linmin: converged after 13 iterations. iteration 88: trace = 6.74681768180402 (2.3338e-07% change) linmin: converged after 4 iterations. iteration 89: trace = 6.746817679536382 (3.36105e-08% change) large trace change predicted (1.96595e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817666272639 (1.96593e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.746817665247363 (1.51964e-08% change) large trace change predicted (1.41411e-07%) linmin: converged after 4 iterations. iteration 92: trace = 6.746817655706721 (1.4141e-07% change) linmin: converged after 26 iterations. iteration 93: trace = 6.746817655067918 (9.46821e-09% change) large trace change predicted (1.33504e-07%) linmin: converged after 9 iterations. iteration 94: trace = 6.746817646060598 (1.33505e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.746817642485677 (5.29868e-08% change) linmin: converged after 20 iterations. iteration 96: trace = 6.746817637600816 (7.24025e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.746817635239473 (3.49994e-08% change) large trace change predicted (7.8164e-08%) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629965874 (7.81642e-08% change) linmin: converged after 10 iterations. iteration 99: trace = 6.746817626196352 (5.58711e-08% change) linmin: converged after 33 iterations. iteration 100: trace = 6.746817626000397 (2.9044e-09% change) large trace change predicted (2.59506e-08%) linmin: converged after 34 iterations. iteration 101: trace = 6.746817624249551 (2.59507e-08% change) linmin: converged after 11 iterations. iteration 102: trace = 6.746817624101108 (2.20019e-09% change) large trace change predicted (1.59764e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623023198 (1.59766e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.746817622890795 (1.96246e-09% change) large trace change predicted (1.62697e-08%) linmin: converged after 6 iterations. iteration 105: trace = 6.746817621793102 (1.62698e-08% change) linmin: converged after 26 iterations. iteration 106: trace = 6.74681762168526 (1.59842e-09% change) large trace change predicted (1.71878e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620525645 (1.71876e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.746817620438056 (1.29823e-09% change) large trace change predicted (1.15917e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.746817619655988 (1.15917e-08% change) linmin: converged after 15 iterations. iteration 110: trace = 6.746817619613124 (6.35314e-10% change) large trace change predicted (5.76958e-09%) linmin: converged after 4 iterations. iteration 111: trace = 6.746817619223854 (5.7697e-09% change) linmin: converged after 15 iterations. iteration 112: trace = 6.746817619185846 (5.63344e-10% change) large trace change predicted (2.34418e-09%) linmin: converged after 19 iterations. iteration 113: trace = 6.746817619027684 (2.34424e-09% change) linmin: converged after 6 iterations. iteration 114: trace = 6.746817618906695 (1.79328e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618789834 (1.73209e-09% change) linmin: converged after 10 iterations. iteration 116: trace = 6.746817618601854 (2.78619e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 6.746817618590867 (1.62844e-10% change) large trace change predicted (1.0965e-09%) linmin: converged after 10 iterations. iteration 118: trace = 6.746817618516902 (1.09631e-09% change) linmin: converged after 16 iterations. iteration 119: trace = 6.746817618507549 (1.38621e-10% change) large trace change predicted (1.28664e-09%) linmin: converged after 10 iterations. iteration 120: trace = 6.746817618420743 (1.28662e-09% change) linmin: converged after 11 iterations. iteration 121: trace = 6.746817618412694 (1.19309e-10% change) large trace change predicted (1.81309e-09%) linmin: converged after 4 iterations. iteration 122: trace = 6.746817618290359 (1.81321e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.74681761827393 (2.43515e-10% change) large trace change predicted (1.07706e-09%) linmin: converged after 17 iterations. iteration 124: trace = 6.746817618201255 (1.07718e-09% change) linmin: converged after 4 iterations. iteration 125: trace = 6.746817618193226 (1.18993e-10% change) large trace change predicted (3.69866e-10%) linmin: converged after 4 iterations. iteration 126: trace = 6.746817618168281 (3.69735e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.74681761814764 (3.05941e-10% change) linmin: converged after 2 iterations. iteration 128: trace = 6.746817618140222 (1.09949e-10% change) linmin: converged after 7 iterations. iteration 129: trace = 6.746817618125428 (2.19266e-10% change) linmin: converged after 2 iterations. iteration 130: trace = 6.746817618121911 (5.2131e-11% change) Finished solving for bands 1 to 8 after 130 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 0.7616012096405029 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814787989312 (0.213096% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656654509076 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258493879119 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682648152434 (0.109787% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477746036274 (0.046481% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890274792224329 (0.0464743% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461942209045 (0.0408318% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497362695297 (0.0721074% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290953215395 (0.0465987% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875157000383541 (0.0601108% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798266999787 (0.034314% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870795086594073 (0.0291508% change) linmin: converged after 4 iterations. iteration 13: trace = 6.86839591905275 (0.0349244% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214460393963 (0.0317659% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840114271255 (0.0200181% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049097411033 (0.0115234% change) large trace change predicted (0.0249857%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313319854823 (0.0252912% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715281714024 (0.0232899% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968867095816 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391987730293 (0.00840971% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827543470897 (0.00822912% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164445695918 (0.00966827% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406213742799 (0.0110565% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832812668843 (0.00836213% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491585992178 (0.00497657% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252213955899 (0.00349123% change) linmin: converged after 3 iterations. iteration 27: trace = 6.856048907759838 (0.00296531% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800388343612 (0.00362489% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651414321572 (0.00217299% change) linmin: converged after 4 iterations. iteration 30: trace = 6.85551244955388 (0.00202703% change) linmin: converged after 5 iterations. iteration 31: trace = 6.855355721707291 (0.00228618% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230964049745 (0.00181987% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155361996394 (0.00110284% change) linmin: converged after 4 iterations. iteration 34: trace = 6.855094923209286 (0.000881658% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502522022593 (0.00101681% change) linmin: converged after 3 iterations. iteration 36: trace = 6.854917694881054 (0.00156857% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865491725366 (0.000761546% change) linmin: converged after 5 iterations. iteration 38: trace = 6.854810987470301 (0.000795121% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754433469378 (0.00082503% change) linmin: converged after 4 iterations. iteration 40: trace = 6.854698864951357 (0.00081066% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636658912089 (0.000907499% change) linmin: converged after 4 iterations. iteration 42: trace = 6.854585363719888 (0.000748331% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557544507091 (0.000405849% change) linmin: converged after 5 iterations. iteration 44: trace = 6.854534989998289 (0.000329045% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507851821579 (0.000395916% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474003069903 (0.000493819% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448914350061 (0.00036602% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430744342604 (0.000265084% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409554440109 (0.000309142% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819508194 (0.000331684% change) linmin: converged after 5 iterations. iteration 51: trace = 6.854372357327968 (0.000210992% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722410995 (0.000125977% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940939491 (0.000113526% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218710356 (0.000112662% change) linmin: converged after 3 iterations. iteration 55: trace = 6.854341815186448 (9.34228e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867354777 (7.21854e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.854332981396825 (5.66934e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856513015 (6.01792e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 6.854325493406678 (4.90654e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731349222 (6.94752e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900690151 (4.12974e-05% change) linmin: converged after 14 iterations. iteration 62: trace = 6.854316466669672 (2.09214e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.854314812370705 (2.41351e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 6.85431270814234 (3.06993e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.854310570375801 (3.11886e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275721606 (1.88882e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 6.854307864115552 (2.05944e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.854306225891643 (2.39006e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757601273 (2.14214e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 6.854304291819817 (6.79546e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980854112 (4.53679e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707023925 (3.99501e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.854303306250371 (5.84704e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028459787 (4.05279e-06% change) linmin: converged after 26 iterations. iteration 75: trace = 6.854302857028824 (2.50107e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716407965 (2.05157e-06% change) linmin: converged after 21 iterations. iteration 77: trace = 6.854302589318486 (1.85416e-06% change) linmin: converged after 8 iterations. iteration 78: trace = 6.8543024219952 (2.44114e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.854302178669798 (3.54997e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043171542 (1.97684e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.854301959866874 (1.21536e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.854301838195695 (1.77511e-06% change) linmin: converged after 3 iterations. iteration 83: trace = 6.854301701147671 (1.99945e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.854301574144308 (1.8529e-06% change) linmin: converged after 5 iterations. iteration 85: trace = 6.854301492749324 (1.1875e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369182877 (1.80276e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.854301206101426 (2.37926e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 6.854301115055389 (1.32831e-06% change) linmin: converged after 8 iterations. iteration 89: trace = 6.854301061409414 (7.82661e-07% change) linmin: converged after 10 iterations. iteration 90: trace = 6.85430101058803 (7.41452e-07% change) linmin: converged after 25 iterations. iteration 91: trace = 6.854300954171511 (8.23082e-07% change) linmin: converged after 9 iterations. iteration 92: trace = 6.854300910074123 (6.43354e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.854300884300905 (3.76015e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282391 (1.60753e-07% change) linmin: converged after 14 iterations. iteration 95: trace = 6.85430086333026 (1.45195e-07% change) linmin: converged after 5 iterations. iteration 96: trace = 6.8543008522905 (1.61063e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845276386 (1.02332e-07% change) linmin: converged after 4 iterations. iteration 98: trace = 6.854300839712233 (8.11775e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.854300833149797 (9.57419e-08% change) linmin: converged after 17 iterations. iteration 100: trace = 6.854300824943884 (1.19719e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821443228 (5.10724e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.85430081941243 (2.96281e-08% change) linmin: converged after 2 iterations. iteration 103: trace = 6.854300816196325 (4.6921e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 6.854300810980522 (7.60953e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 6.854300805513105 (7.97662e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.85430080083837 (6.82015e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854300798695352 (3.12653e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854300795829086 (4.1817e-08% change) large trace change predicted (8.55129e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.854300789967759 (8.55131e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.854300784483071 (8.00182e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782568909 (2.79264e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300780884584 (2.45733e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854300777946526 (4.28644e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 6.854300776030484 (2.79539e-08% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854300775076961 (1.39113e-08% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854300773901541 (1.71486e-08% change) linmin: converged after 5 iterations. iteration 117: trace = 6.854300773062589 (1.22398e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 6.854300772491557 (8.331e-09% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854300772093142 (5.81264e-09% change) linmin: converged after 8 iterations. iteration 120: trace = 6.854300771871336 (3.23601e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854300771709897 (2.35529e-09% change) linmin: converged after 8 iterations. iteration 122: trace = 6.854300771418055 (4.2578e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771297972 (1.75194e-09% change) linmin: converged after 7 iterations. iteration 124: trace = 6.854300771230555 (9.83562e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.854300771169864 (8.85444e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771101607 (9.95833e-10% change) linmin: converged after 9 iterations. iteration 127: trace = 6.854300771046185 (8.08565e-10% change) linmin: converged after 5 iterations. iteration 128: trace = 6.854300771013497 (4.76905e-10% change) linmin: converged after 3 iterations. iteration 129: trace = 6.854300770988869 (3.59299e-10% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854300770973587 (2.22955e-10% change) linmin: converged after 17 iterations. iteration 131: trace = 6.854300770966001 (1.10687e-10% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854300770959848 (8.97599e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 0.5872416496276855 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.701793255697757 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007042 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606104412 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341773 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679233695 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919% Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% total elapsed time for run: 12.551326513290405 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepfwWQZ2/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/meepfwWQZ2/test_run_te_with_mu_material-0: 12.56s /tmp/meepfwWQZ2/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: 0.0016529560089111328 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 = 13.34219610907293 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574359497 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215192 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611952 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.39347495621681 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099373 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537608 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920924 (0.0351352% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381187024151609 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064831688 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652842539 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327346271 (0.0364203% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477053666 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613449529 (0.000911426% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192653552 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731089855 (0.000124872% change) linmin: converged after 8 iterations. iteration 18: trace = 4.373723431189945 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977265679 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547637936 (9.82293e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986617014 (1.28271e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.373721450685765 (1.22534e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.373721224632032 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.373721180253193 (1.01467e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.373721172519962 (1.76811e-07% change) linmin: converged after 8 iterations. iteration 26: trace = 4.373721170365205 (4.9266e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.373721169530129 (1.9093e-08% change) linmin: converged after 7 iterations. iteration 28: trace = 4.373721169259902 (6.17843e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186922 (1.6686e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.373721169145552 (9.45867e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.373721169066982 (1.79641e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 4.373721168966418 (2.29928e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 4.373721168940519 (5.92157e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721168933669 (1.56629e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.373721168927967 (1.30352e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 4.373721168920081 (1.80307e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 4.373721168904355 (3.59559e-10% change) large trace change predicted (9.95411e-10%) linmin: converged after 15 iterations. iteration 38: trace = 4.373721168860818 (9.95437e-10% change) large trace change predicted (4.53495e-09%) linmin: converged after 5 iterations. iteration 39: trace = 4.373721168662463 (4.53514e-09% change) large trace change predicted (2.06993e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757135 (2.06993e-08% change) large trace change predicted (8.12547e-08%) linmin: converged after 8 iterations. iteration 41: trace = 4.373721164203358 (8.12529e-08% change) linmin: converged after 8 iterations. iteration 42: trace = 4.373721158306188 (1.34832e-07% change) linmin: converged after 12 iterations. iteration 43: trace = 4.373721154434914 (8.85121e-08% change) linmin: converged after 6 iterations. iteration 44: trace = 4.373721151273171 (7.22896e-08% change) large trace change predicted (2.03261e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383144 (2.0326e-07% change) large trace change predicted (4.9274e-07%) linmin: converged after 8 iterations. iteration 46: trace = 4.373721120835437 (4.92663e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077940697 (9.80738e-07% change) large trace change predicted (2.05484e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988619072 (2.04223e-06% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720903714371 (1.94125e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867157155 (8.35838e-07% change) linmin: converged after 8 iterations. iteration 51: trace = 4.373720856044006 (2.54089e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 4.373720853588456 (5.61433e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720853008142 (1.32682e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852589099 (9.58092e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851988566 (1.37305e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.37372085152149 (1.06791e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245718 (6.30521e-09% change) linmin: converged after 10 iterations. iteration 58: trace = 4.37372085109532 (3.43867e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044142 (1.17012e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.3737208510345 (2.20455e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032911 (3.63295e-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: 0.16632962226867676 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909597334268 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652812811 (0.940191% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141341338 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732192743269 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652925099 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414907309 (0.0106784% change) linmin: converged after 7 iterations. iteration 7: trace = 4.290902808803652 (0.00325348% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119433141 (0.000715222% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227385375 (0.000207232% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496349271 (8.69531e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035139753 (3.4054e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.290857390247148 (1.50295e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285464299 (2.442e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271946838 (3.15029e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 4.290857267539305 (1.02719e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 4.290857264553474 (6.95859e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 4.290857263488423 (2.48214e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.290857263235875 (5.88573e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156742 (1.84423e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.290857263115518 (9.60738e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096178 (4.50728e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085607 (2.46343e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.290857263081686 (9.13875e-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: 0.0819251537322998 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007785705 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336659554 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740784533 (0.0140324% change) linmin: converged after 6 iterations. iteration 4: trace = 4.208361881259885 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170473 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621541 (0.000236877% change) linmin: converged after 4 iterations. iteration 7: trace = 4.208308119593182 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493145 (3.56675e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.208307959679195 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.20830795853723 (2.35722e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520754 (3.91504e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.208307958519127 (3.8665e-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: 0.04741811752319336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019177618 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029379 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750682 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.15045166063172 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388951 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.150444119567915 (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 = 4.150444017167717 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934403 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35372e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.150444015829236 (1.80163e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.150444015828809 (1.02932e-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: 0.047261714935302734 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 = 4.120357431810881 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.119753435230959 (0.0146599% change) linmin: converged after 4 iterations. iteration 4: trace = 4.119635726773634 (0.00285721% change) linmin: converged after 6 iterations. iteration 5: trace = 4.119609536145729 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815908 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308933 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.11959860053952 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763426 (4.31133e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.119598598629697 (3.24618e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.119598598621691 (1.07368e-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: 0.047344207763671875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244647103 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107524 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166956 (0.0241823% change) linmin: converged after 5 iterations. iteration 4: trace = 4.110889360751753 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964517 (0.00200253% change) linmin: converged after 8 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801949 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787364 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125227 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910479 (5.38766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.11077724273806 (4.19433e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.110777242727877 (2.47692e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.110777242725125 (6.69573e-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: 0.04728984832763672 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254177 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388636 (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 = 4.099489966039663 (1.07568e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.099489964533704 (3.67353e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.099489964290492 (5.93273e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275826 (3.57742e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.099489964274799 (2.50671e-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: 0.04392123222351074 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 = 4.080119303675819 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385524 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (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 = 4.079452946245482 (6.7993e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.079452904344983 (1.02711e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.079452897007466 (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 = 4.079452895806831 (1.77683e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.07945289580348 (8.21458e-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: 0.04038572311401367 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550934 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231376 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 6 iterations. iteration 4: trace = 4.068777004347966 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591242 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (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 = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.068759276129622 (2.36869e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.068759276129137 (1.19188e-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: 0.04383516311645508 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891642 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235415 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.07553431432466 (0.00232088% change) linmin: converged after 4 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.07552694947602 (7.83828e-09% change) linmin: converged after 13 iterations. iteration 12: trace = 4.07552694936935 (2.61734e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.075526949350731 (4.56846e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 4.075526949349669 (2.60644e-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: 0.050893306732177734 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043211 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.10533579281517 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549131 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589707 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664412 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.09215125746551 (0.00014336% change) linmin: converged after 4 iterations. iteration 8: trace = 4.092150666963198 (1.44301e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 4.092150601221078 (1.60654e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 4.092150442817841 (1.70666e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.092150434447514 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87885e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621967 (1.38546e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.092150433618242 (9.10284e-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: 0.054389238357543945 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496079114834 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161342233001 (0.908868% change) linmin: converged after 6 iterations. iteration 3: trace = 4.060628566742863 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416846814 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154685756 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139225115 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969292298 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828280002 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979411 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576797 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574183 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410185 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788297 (4.00797e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.046652183683061 (2.60059e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.046652183677346 (1.41216e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.046652183676479 (2.14217e-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: 0.05769491195678711 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395022 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188768 (0.123031% change) linmin: converged after 4 iterations. iteration 3: trace = 4.044571128819173 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705371 (0.0011425% change) linmin: converged after 6 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 = 4.044513255709431 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.044513236602915 (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 = 4.044513236398146 (5.03193e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.04451323639685 (3.20398e-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: 0.04379463195800781 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 = 4.113415367601674 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030417 (2.34771e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.113415260853631 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.113415259769445 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756534 (3.13865e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.113415259755486 (2.54788e-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: 0.043813228607177734 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177001 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668812 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052035 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311716 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.240749691476933 (9.51e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.24074964734328 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492661 (1.14381e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.240749642080627 (9.71606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034737 (1.08213e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.240749642029143 (1.31905e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.240749642028247 (2.11324e-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: 0.05070662498474121 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690886 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122409 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936512 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127987 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382551 (0.0389704% change) linmin: converged after 4 iterations. iteration 6: trace = 4.380355369238238 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462434 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817306049 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398602 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837436 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003571 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.3737256310154 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248076 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.37372304371763 (1.5308e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.373722430078841 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618413 (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 5 iterations. iteration 19: trace = 4.373721775011841 (3.19547e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373721750854232 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706726 (1.63419e-07% change) linmin: converged after 33 iterations. iteration 22: trace = 4.373721741956162 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85452e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.373721741513575 (3.26472e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.373721741466505 (1.0762e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.373721741452129 (3.28692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.373721741432794 (4.42066e-10% change) large trace change predicted (8.95069e-10%) linmin: converged after 11 iterations. iteration 28: trace = 4.37372174139364 (8.95221e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 4.373721741340035 (1.2256e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721741314159 (5.91629e-10% change) linmin: converged after 10 iterations. iteration 31: trace = 4.373721741304111 (2.29735e-10% change) large trace change predicted (8.84859e-10%) linmin: converged after 5 iterations. iteration 32: trace = 4.373721741265409 (8.84884e-10% change) large trace change predicted (1.78893e-09%) linmin: converged after 8 iterations. iteration 33: trace = 4.373721741187168 (1.78888e-09% change) linmin: converged after 15 iterations. iteration 34: trace = 4.373721741036681 (3.44072e-09% change) large trace change predicted (3.16544e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.373721739652213 (3.16542e-08% change) large trace change predicted (1.81437e-07%) linmin: converged after 23 iterations. iteration 36: trace = 4.373721731717386 (1.8142e-07% change) large trace change predicted (7.42808e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.373721699261492 (7.42066e-07% change) large trace change predicted (1.81171e-06%) linmin: converged after 9 iterations. iteration 38: trace = 4.373721620582588 (1.7989e-06% change) large trace change predicted (3.98463e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449998931 (3.90019e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 4.373721352070095 (2.23903e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 4.373721289885363 (1.42178e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 4.373721193459067 (2.20467e-06% change) linmin: converged after 11 iterations. iteration 43: trace = 4.3737211233754 (1.60238e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.373721026076961 (2.22461e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.373720919620674 (2.434e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871358169 (1.10347e-06% change) linmin: converged after 7 iterations. iteration 47: trace = 4.373720860408667 (2.50348e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.373720857859263 (5.82891e-08% change) linmin: converged after 13 iterations. iteration 49: trace = 4.373720856571031 (2.94539e-08% change) linmin: converged after 10 iterations. iteration 50: trace = 4.37372085452145 (4.68613e-08% change) linmin: converged after 3 iterations. iteration 51: trace = 4.373720852664958 (4.24465e-08% change) linmin: converged after 12 iterations. iteration 52: trace = 4.373720851891077 (1.76939e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.373720851693671 (4.51347e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644961 (1.11369e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851632621 (2.82148e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851620797 (2.70329e-10% change) linmin: converged after 18 iterations. iteration 57: trace = 4.373720851605125 (3.5834e-10% change) linmin: converged after 15 iterations. iteration 58: trace = 4.373720851598586 (1.49501e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851594716 (8.84783e-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: 0.16101813316345215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% total elapsed time for run: 1.03013014793396 done /tmp/meepfwWQZ2/test_run_tm-0: 1.03s /tmp/meepfwWQZ2/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: 0.0015645027160644531 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14168310165405273 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42192912101745605 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09217619895935059 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08572697639465332 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09907293319702148 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.1543271541595459 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11622834205627441 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09944343566894531 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08531808853149414 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08204078674316406 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08168458938598633 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06479835510253906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07497549057006836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10273623466491699 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12003803253173828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2517356872558594 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0759716033935547 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: 0.0016491413116455078 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14142966270446777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42166829109191895 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0923147201538086 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.0856623649597168 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09919595718383789 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15422654151916504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11713814735412598 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09936881065368652 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0853886604309082 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0820016860961914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08166670799255371 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06481599807739258 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07489895820617676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10278749465942383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12006258964538574 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2505199909210205 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0753068923950195 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: 0.0016329288482666016 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14110708236694336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4210848808288574 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09223031997680664 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08559370040893555 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09911990165710449 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15410876274108887 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1161031723022461 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09916090965270996 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08520865440368652 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08187294006347656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08152461051940918 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06481528282165527 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07493448257446289 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10247278213500977 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1199345588684082 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2502901554107666 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0716779232025146 done /tmp/meepfwWQZ2/test_set_eigenvectors-0: 6.22s /tmp/meepfwWQZ2/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: 0.0016052722930908203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690054 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638006 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994748 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915676 (3.48814% change) linmin: converged after 5 iterations. iteration 6: trace = 5.704204927742774 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719287 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801683 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863861 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.63238951095019 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281851 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828863 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451508 (0.00632352% change) linmin: converged after 4 iterations. iteration 14: trace = 5.629707527279329 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 6 iterations. iteration 16: trace = 5.629334770611423 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179754779 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143345387 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210335247 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227212604 (0.00106561% change) linmin: converged after 4 iterations. iteration 21: trace = 5.628918234634898 (0.000657186% change) linmin: converged after 13 iterations. iteration 22: trace = 5.628892160266247 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918705998 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540675988 (0.000131075% change) linmin: converged after 6 iterations. iteration 25: trace = 5.628866521545568 (7.14021e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 5.628864944361773 (2.80196e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 5.628864428335515 (9.1675e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.628864254010919 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199205668 (9.73647e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 5.628864180871601 (3.25715e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355644 (1.1576e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803173 (4.53461e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678025 (1.99889e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 5.628864170196713 (8.55078e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964596 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778765 (3.30139e-09% change) linmin: converged after 12 iterations. iteration 37: trace = 5.628864169602526 (3.131e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 5.628864169405927 (3.4927e-09% change) linmin: converged after 9 iterations. iteration 39: trace = 5.628864169253099 (2.71508e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628864169153879 (1.76269e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 5.628864169097579 (1.00021e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061671 (6.37913e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.62886416903688 (4.40439e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.628864169022885 (2.4863e-10% change) linmin: converged after 5 iterations. iteration 45: trace = 5.628864169016389 (1.15408e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 5.62886416901306 (5.91397e-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: 0.12668490409851074 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383808177 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054238222 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656916263 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656698282 (0.0219717% change) linmin: converged after 3 iterations. iteration 5: trace = 5.651455832958964 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354684 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221654 (0.00509164% change) linmin: converged after 5 iterations. iteration 8: trace = 5.650503338619168 (0.00301938% change) linmin: converged after 6 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 3 iterations. iteration 10: trace = 5.650387262434869 (0.000763755% change) linmin: converged after 4 iterations. iteration 11: trace = 5.650369556591794 (0.000313357% change) linmin: converged after 4 iterations. iteration 12: trace = 5.650362805816114 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400670214 (4.25662e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822551868 (1.02315e-05% change) linmin: converged after 17 iterations. iteration 15: trace = 5.650359570380632 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721783 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358939 (7.49737e-07% change) linmin: converged after 15 iterations. iteration 18: trace = 5.650359402315163 (2.83943e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.650359397610368 (8.32654e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.650359395697522 (3.38535e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.650359394584378 (1.97004e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286108 (2.29768e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 5.650359391538194 (3.09346e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.65035938990169 (2.89628e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 5.650359388475219 (2.52457e-08% change) linmin: converged after 14 iterations. iteration 26: trace = 5.650359386380272 (3.70764e-08% change) large trace change predicted (9.57982e-08%) linmin: converged after 6 iterations. iteration 27: trace = 5.650359380967167 (9.58011e-08% change) near maximum in trace linmin: converged after 12 iterations. iteration 28: trace = 5.65029130912194 (0.00120474% change) linmin: converged after 7 iterations. iteration 29: trace = 5.650291234061909 (1.32843e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.650291159747921 (1.31522e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 5.650291086201616 (1.30164e-06% change) linmin: converged after 8 iterations. iteration 32: trace = 5.650291013437279 (1.2878e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 5.650290941462908 (1.27382e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.650290870281232 (1.25979e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.650290799890623 (1.24579e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.650290730285771 (1.23188e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.650290661458452 (1.21812e-06% change) linmin: converged after 7 iterations. iteration 38: trace = 5.650290593398053 (1.20455e-06% change) linmin: converged after 15 iterations. iteration 39: trace = 5.650290526092048 (1.1912e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.650290459526456 (1.17809e-06% change) linmin: converged after 11 iterations. iteration 41: trace = 5.650290393686173 (1.16525e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 5.650290328555217 (1.1527e-06% change) linmin: converged after 8 iterations. iteration 43: trace = 5.650290264117083 (1.14044e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 5.650290200354844 (1.12848e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290137251378 (1.11682e-06% change) linmin: converged after 9 iterations. iteration 46: trace = 5.650290074789467 (1.10546e-06% change) linmin: converged after 8 iterations. iteration 47: trace = 5.650290012951959 (1.09441e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289951721833 (1.08366e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289891082261 (1.07321e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 5.650289831016662 (1.06305e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.650289771508803 (1.05318e-06% change) linmin: converged after 6 iterations. iteration 52: trace = 5.650289712542765 (1.04359e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 5.650289654102977 (1.03428e-06% change) linmin: converged after 17 iterations. iteration 54: trace = 5.650289596174298 (1.02523e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.650289538735549 (1.01656e-06% change) linmin: converged after 18 iterations. iteration 56: trace = 5.65028948178523 (1.00792e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.650289425290975 (9.99847e-07% change) linmin: converged after 7 iterations. iteration 58: trace = 5.650289369263237 (9.91591e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 5.650289313676903 (9.83779e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 5.650289258515707 (9.76254e-07% change) linmin: converged after 7 iterations. iteration 61: trace = 5.650289203774422 (9.68823e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.65028914943757 (9.61665e-07% change) linmin: converged after 10 iterations. iteration 63: trace = 5.650289095493558 (9.54712e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 5.650289041921457 (9.4813e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 5.65028898872999 (9.41394e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 5.650288935898927 (9.35015e-07% change) linmin: converged after 13 iterations. iteration 67: trace = 5.650288883409756 (9.28964e-07% change) linmin: converged after 7 iterations. iteration 68: trace = 5.650288831261826 (9.22925e-07% change) linmin: converged after 8 iterations. iteration 69: trace = 5.650288779444876 (9.17067e-07% change) resetting CG direction... large trace change predicted (0.0219494%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030468293702 (0.0222723% change) linmin: converged after 3 iterations. iteration 71: trace = 5.64829136620188 (0.0130846% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952692809617 (0.00599621% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647730066485801 (0.00394179% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486452368881 (0.00431358% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157647966095 (0.00582231% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646836023572824 (0.00569549% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550485301955 (0.00505673% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220747932997 (0.0058398% change) large trace change predicted (0.0119218%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515259687648 (0.0124957% change) large trace change predicted (0.0250157%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058926472955 (0.0257996% change) linmin: converged after 10 iterations. iteration 81: trace = 5.642273446376459 (0.0316397% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640698255256122 (0.0279216% change) linmin: converged after 7 iterations. iteration 83: trace = 5.639845149544605 (0.0151253% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288483577501 (0.00987072% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902685900879 (0.00684148% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726995261628 (0.00311574% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638885026625 (0.0015626% change) linmin: converged after 5 iterations. iteration 88: trace = 5.638595387765385 (0.000771417% change) linmin: converged after 3 iterations. iteration 89: trace = 5.63857049670874 (0.000441442% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555869927401 (0.000259406% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546196966949 (0.00017155% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539566898372 (0.000117585% change) linmin: converged after 3 iterations. iteration 93: trace = 5.63853584120281 (6.60756e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 5.638534039131848 (3.19599e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 5.638532923217655 (1.97909e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.63853201375318 (1.61295e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531074937021 (1.665e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 5.638530027134964 (1.85829e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 5.638528499055526 (2.71007e-05% change) linmin: converged after 6 iterations. iteration 100: trace = 5.638526250349737 (3.98811e-05% change) linmin: converged after 4 iterations. iteration 101: trace = 5.638523966989695 (4.04957e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.6385216988416 (4.02259e-05% change) linmin: converged after 5 iterations. iteration 103: trace = 5.638518649900305 (5.40734e-05% change) linmin: converged after 4 iterations. iteration 104: trace = 5.63851666923112 (3.51275e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788362522 (1.56223e-05% change) linmin: converged after 4 iterations. iteration 106: trace = 5.638515475732303 (5.54455e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 5.63851535359939 (2.16605e-06% change) linmin: converged after 4 iterations. iteration 108: trace = 5.638515290971848 (1.11071e-06% change) linmin: converged after 6 iterations. iteration 109: trace = 5.638515251423739 (7.01392e-07% change) linmin: converged after 16 iterations. iteration 110: trace = 5.638515230513041 (3.70855e-07% change) linmin: converged after 2 iterations. iteration 111: trace = 5.6385152189832 (2.04484e-07% change) linmin: converged after 7 iterations. iteration 112: trace = 5.63851521453465 (7.88958e-08% change) linmin: converged after 4 iterations. iteration 113: trace = 5.638515212759899 (3.14755e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 5.638515211748622 (1.79352e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 5.638515210948728 (1.41863e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 5.638515210027005 (1.63469e-08% change) linmin: converged after 4 iterations. iteration 117: trace = 5.638515209014515 (1.79567e-08% change) linmin: converged after 10 iterations. iteration 118: trace = 5.638515207797895 (2.1577e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 5.638515206519796 (2.26673e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.63851520504288 (2.61934e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202936349 (3.73597e-08% change) linmin: converged after 4 iterations. iteration 122: trace = 5.638515200860235 (3.68202e-08% change) linmin: converged after 6 iterations. iteration 123: trace = 5.63851519909181 (3.13633e-08% change) linmin: converged after 8 iterations. iteration 124: trace = 5.638515198026758 (1.88889e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197269305 (1.34336e-08% change) linmin: converged after 4 iterations. iteration 126: trace = 5.638515196711155 (9.89888e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196251477 (8.15246e-09% change) linmin: converged after 8 iterations. iteration 128: trace = 5.638515195990945 (4.62058e-09% change) linmin: converged after 8 iterations. iteration 129: trace = 5.638515195870702 (2.13254e-09% change) linmin: converged after 8 iterations. iteration 130: trace = 5.638515195810788 (1.06258e-09% change) linmin: converged after 3 iterations. iteration 131: trace = 5.638515195782595 (5e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576966 (2.29412e-10% change) linmin: converged after 5 iterations. iteration 133: trace = 5.638515195763932 (1.01585e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.4665992259979248 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836813777 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920319447 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913818451 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117723827 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090452 (0.00623453% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874338 (0.0015346% change) linmin: converged after 9 iterations. iteration 7: trace = 5.595198313937154 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956797 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684432 (7.71069e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.595180202268759 (3.23388e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.59517960404312 (1.06918e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.595179391571371 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.595179285473622 (4.58688e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.595179276623069 (1.58182e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689018 (5.24389e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904637 (1.40189e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.595179272581779 (5.77029e-09% change) linmin: converged after 11 iterations. iteration 19: trace = 5.595179272336526 (4.3833e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.595179272188355 (2.64818e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.595179272063362 (2.23395e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.59517927196455 (1.76601e-09% change) linmin: converged after 17 iterations. iteration 23: trace = 5.595179271878046 (1.54605e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843302 (6.20959e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.595179271827009 (2.91208e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.595179271819181 (1.39898e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.59517927181656 (4.68442e-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: 0.09580874443054199 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769399094 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264359311 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100766153 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954554049 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315722 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291432 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907684 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250994 (0.000133931% change) linmin: converged after 5 iterations. iteration 10: trace = 5.577903978777094 (3.43225e-05% change) linmin: converged after 12 iterations. iteration 11: trace = 5.57790346238493 (9.25782e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.577903351821988 (1.98216e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.577903319845028 (5.73279e-07% change) linmin: converged after 26 iterations. iteration 14: trace = 5.577903310566406 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418655 (5.64325e-08% change) linmin: converged after 12 iterations. iteration 16: trace = 5.57790330586165 (2.79138e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.577903305185303 (1.21255e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.577903304857366 (5.87921e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.577903304716055 (2.53341e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.577903304686389 (5.31849e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.577903304676372 (1.79581e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.577903304673051 (5.95367e-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: 0.07910752296447754 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984177758 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098157666 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607935736 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314419059 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452726608 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329847 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.59408706885172 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640523 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820709 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.59403506708577 (6.33306e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.594033390558401 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184891 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982707 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072586 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788909 (1.2564e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.594031455144973 (5.47797e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 5.594031432706858 (4.01108e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.594031422730694 (1.78336e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.594031418912031 (6.82632e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677416 (2.20702e-08% change) linmin: converged after 13 iterations. iteration 22: trace = 5.594031417255708 (7.53853e-09% change) linmin: converged after 23 iterations. iteration 23: trace = 5.594031417032638 (3.98765e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.594031416919612 (2.02048e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.59403141687714 (7.59234e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.594031416862822 (2.55957e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.594031416858376 (7.94656e-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: 0.09581565856933594 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023161 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639067469 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452943627 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770227 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073526 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507559706 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056389 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858954874 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947096 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879081736 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.640440099441649 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644369 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778243 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718165 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782468 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569713 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805507 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771831 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137831 (3.15153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 5.637416175196376 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.63741573868567 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.63741548882805 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 21 iterations. iteration 25: trace = 5.637415263728908 (1.61605e-06% change) linmin: converged after 23 iterations. iteration 26: trace = 5.637415208122752 (9.86377e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 5.637415147804327 (1.06997e-06% change) large trace change predicted (2.89726e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984467265 (2.89738e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.637414701465812 (5.02006e-06% change) linmin: converged after 13 iterations. iteration 30: trace = 5.637414479207225 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382458896 (1.71618e-06% change) linmin: converged after 5 iterations. iteration 32: trace = 5.637414352167748 (5.37323e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.637414342884079 (1.6468e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.637414340072562 (4.98725e-08% change) linmin: converged after 12 iterations. iteration 35: trace = 5.637414339312873 (1.34758e-08% change) linmin: converged after 19 iterations. iteration 36: trace = 5.637414338914756 (7.06205e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.637414338639521 (4.88227e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.637414338456356 (3.2491e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 5.637414338381471 (1.32836e-09% change) linmin: converged after 8 iterations. iteration 40: trace = 5.637414338347076 (6.10115e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 5.6374143383179 (5.17554e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.637414338273249 (7.92039e-10% change) linmin: converged after 13 iterations. iteration 43: trace = 5.637414338211488 (1.09556e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 5.637414338111083 (1.78105e-09% change) linmin: converged after 18 iterations. iteration 45: trace = 5.637414338017404 (1.66173e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.637414337962041 (9.82061e-10% change) linmin: converged after 6 iterations. iteration 47: trace = 5.637414337944461 (3.11856e-10% change) linmin: converged after 9 iterations. iteration 48: trace = 5.637414337940067 (7.79403e-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: 0.16891837120056152 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961209858 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403003084 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270341415 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887656381 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.52039248359838 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529984 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279448 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913019 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845697 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.51896543492103 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752473 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189399 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535173 (3.98746e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.518941629485345 (1.02203e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.518941443520309 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51894139822527 (8.2072e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.51894138307171 (2.74574e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.518941376509183 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239345 (4.11281e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.518941372978462 (2.28465e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.518941372520745 (8.29357e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.51894137229888 (4.02005e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 5.518941372163193 (2.45857e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.518941372061857 (1.83616e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.518941371930669 (2.37704e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.518941371759532 (3.1009e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614911 (2.62045e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.518941371516171 (1.78912e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.518941371440124 (1.37792e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 5.518941371369822 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.518941371330355 (7.15121e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.518941371316811 (2.45406e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 5.518941371312554 (7.71351e-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: 0.11630582809448242 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069228532 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100369 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958259 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261594959 (0.0214305% change) linmin: converged after 3 iterations. iteration 5: trace = 5.342917059986682 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492332 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772835 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537944 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052343 (7.23916e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 5.342524762095743 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418491 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.342524475923854 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019504 (1.47952e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.3425244664443 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.34252446601954 (7.95054e-09% change) linmin: converged after 18 iterations. iteration 17: trace = 5.342524465855401 (3.07231e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.342524465750501 (1.96349e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692874 (1.07866e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.342524465655599 (6.97705e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.342524465621588 (6.36593e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.342524465595664 (4.85242e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.34252446557226 (4.38077e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.342524465547464 (4.64128e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.342524465528069 (3.63033e-10% change) linmin: converged after 15 iterations. iteration 26: trace = 5.342524465517735 (1.93428e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514539 (5.98157e-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: 0.09579968452453613 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851366042 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.20125099997999 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129169 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803618 (0.00667631% change) linmin: converged after 6 iterations. iteration 5: trace = 5.199636452166114 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.199588777495884 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860654868 (0.000383047% change) linmin: converged after 5 iterations. iteration 8: trace = 5.199559960602217 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513362 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338559 (1.6774e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.199556282069324 (3.1016e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.199556247771228 (6.59635e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.199556240158943 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716338 (2.77448e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.199556238427378 (5.5574e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.199556238339892 (1.68256e-09% change) linmin: converged after 15 iterations. iteration 17: trace = 5.199556238303388 (7.02062e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.19955623826938 (6.54063e-10% change) linmin: converged after 9 iterations. iteration 19: trace = 5.199556238207707 (1.18611e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136203 (1.37521e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.199556238088184 (9.23511e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.19955623807294 (2.93175e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.199556238067974 (9.55215e-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: 0.08226704597473145 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636562061 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653694802 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041818844 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935807 (0.00355468% change) linmin: converged after 4 iterations. iteration 5: trace = 5.110110328941206 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675727 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.110090048386214 (8.46421e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.110087943959178 (4.11818e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.110087209667765 (1.43694e-05% change) linmin: converged after 19 iterations. iteration 10: trace = 5.110086882135972 (6.40951e-06% change) linmin: converged after 29 iterations. iteration 11: trace = 5.11008680116278 (1.58458e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.110086778559413 (4.42328e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.11008677237288 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914108 (2.85469e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602328 (6.10128e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66933e-09% change) linmin: converged after 13 iterations. iteration 17: trace = 5.110086770480931 (7.0629e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.110086770438304 (8.34178e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.110086770329216 (2.13476e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238313 (1.7789e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.110086770200718 (7.35698e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.110086770192776 (1.5542e-10% change) linmin: converged after 7 iterations. iteration 23: trace = 5.11008677019096 (3.55439e-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: 0.08210968971252441 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.082968734459396 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009847005 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162832763 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208724 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284587 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273342 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.07982854705658 (3.57338e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.079827969475216 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733472 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883465 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437724 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.0798277757082 (1.91533e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842991 (7.60894e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756296 (2.13924e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533072 (4.39432e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.079827770466221 (1.316e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.079827770421267 (8.84956e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.079827770346472 (1.4724e-09% change) large trace change predicted (3.34424e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176591 (3.34423e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.079827770098357 (1.54008e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.079827770077139 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073009 (8.13026e-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: 0.07821178436279297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.14643038681267 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363819 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320569 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400246 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442865 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.13979253351684 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.13978717670438 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.13978547394731 (3.31289e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 5.139784968056223 (2.84858e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.139784924164504 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516125 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150685 (4.60221e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.139784911632526 (1.00814e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523812 (2.11515e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.1397849114978 (5.06076e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.139784911491648 (1.19702e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.139784911490274 (2.67329e-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: 0.06460213661193848 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856601055 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434600713 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483632051 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253843 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.308110104171019 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200678 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774419 (0.000644248% change) linmin: converged after 6 iterations. iteration 8: trace = 5.307931944059677 (0.000267782% change) linmin: converged after 3 iterations. iteration 9: trace = 5.307927410039053 (8.54198e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.307925220166293 (4.12567e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.307924508322333 (1.3411e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430648 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022233 (8.30535e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763155 (2.37207e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.307924174428115 (6.31206e-09% change) linmin: converged after 17 iterations. iteration 18: trace = 5.307924174351109 (1.45079e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.307924174333355 (3.34477e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.307924174329596 (7.08143e-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: 0.07170629501342773 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532699 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670154723 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928005754 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.521192314611162 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983861 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468542 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129566 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409325 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920189 (0.00265341% change) linmin: converged after 4 iterations. iteration 10: trace = 5.515731715125205 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343585 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907219 (0.000154857% change) linmin: converged after 3 iterations. iteration 13: trace = 5.515691983062538 (5.06708e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.515691259672616 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868783 (5.74368e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 18 iterations. iteration 17: trace = 5.515690808935375 (6.64545e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.515690790954505 (3.25995e-07% change) linmin: converged after 14 iterations. iteration 19: trace = 5.515690782728353 (1.49141e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.5156907795232 (5.81097e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.51569077844038 (1.96316e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 5.515690778101872 (6.13718e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.515690777997051 (1.90042e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.51569077796538 (5.74192e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.515690777958355 (1.27373e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.515690777956149 (3.99993e-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: 0.0922694206237793 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390339643 (1.24468% change) linmin: converged after 6 iterations. iteration 2: trace = 5.6476272710025 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.632522083730581 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518819342 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.6225730091186 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744119 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490822013 (0.00597205% change) linmin: converged after 4 iterations. iteration 8: trace = 5.621208187044374 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602503575 (0.0032304% change) linmin: converged after 3 iterations. iteration 10: trace = 5.620814125076359 (0.00378012% change) linmin: converged after 7 iterations. iteration 11: trace = 5.62062988743376 (0.00327783% change) linmin: converged after 4 iterations. iteration 12: trace = 5.620459427819393 (0.0030328% change) linmin: converged after 7 iterations. iteration 13: trace = 5.62036787458806 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402055506 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079253239 (0.000272632% change) linmin: converged after 5 iterations. iteration 16: trace = 5.620311039976532 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265164774 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520931707 (1.32419e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.620308198035178 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374191 (2.43156e-06% change) linmin: converged after 15 iterations. iteration 21: trace = 5.620308008166372 (9.46706e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.620307991490641 (2.96705e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134485 (1.30885e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.620307981733875 (4.27131e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.620307979992731 (3.09795e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 5.620307977675642 (4.12271e-08% change) linmin: converged after 12 iterations. iteration 27: trace = 5.620307974743189 (5.2176e-08% change) linmin: converged after 25 iterations. iteration 28: trace = 5.620307972553177 (3.8966e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72519e-08% change) linmin: converged after 13 iterations. iteration 30: trace = 5.620307971162816 (7.48624e-09% change) linmin: converged after 14 iterations. iteration 31: trace = 5.620307970956896 (3.66387e-09% change) linmin: converged after 8 iterations. iteration 32: trace = 5.620307970850901 (1.88592e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 5.620307970806843 (7.83909e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 5.620307970792958 (2.47064e-10% change) linmin: converged after 5 iterations. iteration 35: trace = 5.620307970788173 (8.51309e-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: 0.12375330924987793 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683447139 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.69013217511223 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561610348 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700192534 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569915775 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.66898719926361 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726510974 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425642517 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186201759 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953699151 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477910797 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718159335 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953640502 (0.0534701% change) linmin: converged after 6 iterations. iteration 14: trace = 5.656543771246547 (0.0462045% change) linmin: converged after 6 iterations. iteration 15: trace = 5.653314443450369 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363409049 (0.0851002% change) linmin: converged after 5 iterations. iteration 18: trace = 5.638869397659223 (0.0877799% change) linmin: converged after 5 iterations. iteration 19: trace = 5.635889317550877 (0.0528629% change) linmin: converged after 11 iterations. iteration 20: trace = 5.633934894998681 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468096789 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.63216107652609 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240217442 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940342996 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098063058 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619620746 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621853688 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051219722 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777063844 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361182864 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147465816 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226406005 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024992199 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733964276 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.62908622297124 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867570187 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408060253 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62897900457245 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468543664 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628932212763313 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703762905 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770133663 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295239232 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548977001 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125204432 (9.63561e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 5.628876480396267 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.628873855273834 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914588438 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.628870173455866 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872043185 (2.31203e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 5.628867792579706 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350905 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472395086 (1.05697e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 5.628866038937664 (7.70062e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.628865733630174 (5.42396e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 5.628865472838854 (4.63311e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.628865257055493 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067339921 (3.37041e-06% change) linmin: converged after 17 iterations. iteration 59: trace = 5.628864923854199 (2.54911e-06% change) linmin: converged after 4 iterations. iteration 60: trace = 5.628864787382382 (2.4245e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.628864676737184 (1.96568e-06% change) linmin: converged after 12 iterations. iteration 62: trace = 5.628864577624377 (1.7608e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491677724 (1.52689e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.628864423563048 (1.2101e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 5.628864369043746 (9.68567e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328356191 (7.22838e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.62886429490853 (5.94217e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268958717 (4.61013e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245244371 (4.21299e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210816833 (6.11625e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.62886418580456 (4.44357e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 5.628864176497276 (1.65349e-07% change) linmin: converged after 4 iterations. iteration 73: trace = 5.62886417232988 (7.40362e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611609 (3.05261e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125619 (8.63391e-09% change) linmin: converged after 10 iterations. iteration 76: trace = 5.628864169899462 (4.01781e-09% change) linmin: converged after 18 iterations. iteration 77: trace = 5.628864169746225 (2.72233e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 5.628864169565629 (3.20839e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 5.628864169372546 (3.43023e-09% change) linmin: converged after 18 iterations. iteration 80: trace = 5.628864169215229 (2.79484e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 5.628864169115528 (1.77124e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 5.628864169056972 (1.04028e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 5.628864169025802 (5.53748e-10% change) linmin: converged after 7 iterations. iteration 84: trace = 5.628864169015142 (1.89395e-10% change) linmin: converged after 8 iterations. iteration 85: trace = 5.628864169011921 (5.72147e-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: 0.23100852966308594 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 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 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 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 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% total elapsed time for run: 2.0733420848846436 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: 0.0016274452209472656 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 = 13.65344660078474 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.60953779090269 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369743 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403813 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716676 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249221 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294311 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196533 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362643 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445939 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171114 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176239 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558819 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.4838691348752 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025639 (0.00110951% change) linmin: converged after 4 iterations. iteration 16: trace = 4.483805975020276 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715889 (0.000107795% change) linmin: converged after 3 iterations. iteration 18: trace = 4.483800147423097 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914428 (7.14815e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 4.483799489838405 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852839 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221835 (9.87179e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 4.483798337447185 (4.18785e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 4.483798287889884 (1.10525e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.48379827771194 (2.26994e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.48379827562259 (4.65978e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798275082743 (1.204e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 4.483798274908857 (3.87809e-09% change) linmin: converged after 15 iterations. iteration 29: trace = 4.48379827485738 (1.14807e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.4837982748355 (4.87965e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.48379827479505 (9.02144e-10% change) linmin: converged after 18 iterations. iteration 32: trace = 4.483798274730371 (1.4425e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 4.483798274703624 (5.96517e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 4.483798274697118 (1.45118e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.483798274693346 (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: 0.09637713432312012 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509364793 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.43252398877573 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.41341631617131 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019506292 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350058125 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733735445 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457686353 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753674171 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484599 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998275 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582743 (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 = 4.398156557280718 (2.48273e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.398156022880025 (1.21506e-05% change) linmin: converged after 27 iterations. iteration 15: trace = 4.39815575235615 (6.15085e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.3981556224991 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368086 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776388 (5.364e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.398155541734105 (2.51066e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009754 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105948 (4.32865e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748289 (8.13202e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692952 (1.25819e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.398155533670936 (5.00577e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 4.398155533656851 (3.20242e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.398155533649992 (1.55961e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647458 (5.76144e-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: 0.09551215171813965 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838449 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037746 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862876 (0.0125769% change) linmin: converged after 7 iterations. iteration 4: trace = 4.314511296930485 (0.00327244% change) linmin: converged after 16 iterations. iteration 5: trace = 4.314475376819534 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448445 (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 = 4.314465863908676 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457113 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.314465855768227 (1.59669e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.314465855720843 (1.09827e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.314465855716319 (1.04845e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.04726552963256836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869065 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762704 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461066 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922878 (0.00126456% change) linmin: converged after 6 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218786 (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 = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801437 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602304 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506426 (2.25258e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.256363888498843 (1.78163e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498331 (1.20194e-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: 0.047193288803100586 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891605 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314515 (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 = 4.226108930204369 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419119 (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 (3.17137e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.226095324430022 (1.84525e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.22609532442957 (1.06974e-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: 0.047109365463256836 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436597712 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957929 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.21830332395176 (0.0260571% change) linmin: converged after 4 iterations. iteration 4: trace = 4.217912996839663 (0.00925361% change) linmin: converged after 6 iterations. iteration 5: trace = 4.2178069626567 (0.00251393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.217779234764839 (0.000657403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.217772706280913 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251995 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111434 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564775 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377837 (4.43214e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362665 (3.59713e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.217772179355189 (1.77266e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.050649404525756836 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451161 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579899 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729061 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259354 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514315 (0.000307858% change) linmin: converged after 3 iterations. iteration 6: trace = 4.205423872193341 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220989 (9.98053e-07% change) linmin: converged after 13 iterations. iteration 8: trace = 4.205423828175204 (4.86463e-08% change) linmin: converged after 5 iterations. iteration 9: trace = 4.205423828042198 (3.16272e-09% change) linmin: converged after 5 iterations. iteration 10: trace = 4.205423828029007 (3.13672e-10% change) linmin: converged after 7 iterations. iteration 11: trace = 4.205423828027401 (3.81847e-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: 0.04053306579589844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576803 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703085 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295249 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887838 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911323 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.182592321790138 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 4.182592281925405 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.18259228103248 (1.83096e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.18259228102394 (2.04176e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.182592281022643 (3.10033e-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: 0.04375505447387695 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921933 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845193 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.167978693502352 (0.0160192% change) linmin: converged after 6 iterations. iteration 4: trace = 4.1678332981875 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647445 (0.000484942% change) linmin: converged after 6 iterations. iteration 6: trace = 4.167811349625675 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608129 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546715 (1.69427e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.167811239290019 (3.53263e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.167811239280089 (2.38251e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.167811239279436 (1.56845e-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: 0.04374408721923828 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 = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398399 (0.038731% change) linmin: converged after 4 iterations. iteration 4: trace = 4.169126573577485 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733771 (0.00231195% change) linmin: converged after 4 iterations. iteration 6: trace = 4.169023804109909 (0.000153096% change) linmin: converged after 15 iterations. iteration 7: trace = 4.169023362478118 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272603 (9.16414e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.169023320812371 (8.29986e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.169023319376691 (3.44368e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.36592e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16902331868502 (2.93157e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.16902331866883 (3.88334e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668046 (1.88116e-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: 0.05075430870056152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230138833 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085977992 (0.127731% change) linmin: converged after 8 iterations. iteration 3: trace = 4.184065231776855 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111325 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.17870816212099 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 4 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 28 iterations. iteration 8: trace = 4.178673127808474 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930172 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680718 (2.01618e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.178672966328761 (4.1525e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170062 (2.77289e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096562 (1.75892e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089345 (1.72718e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088609 (1.76204e-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: 0.054284095764160156 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590649381948 (1.05654% change) linmin: converged after 9 iterations. iteration 2: trace = 4.183207288836179 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.15660786144675 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125802194274 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.14166134336903 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875801526 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445195259 (0.00179738% change) linmin: converged after 6 iterations. iteration 8: trace = 4.141013513514483 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.14101295478792 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733243 (5.72456e-06% change) linmin: converged after 21 iterations. iteration 11: trace = 4.141012607970377 (2.65063e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.141012579996683 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178471 (4.39074e-08% change) linmin: converged after 14 iterations. iteration 14: trace = 4.141012578052829 (3.0341e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041205 (2.80694e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.141012578036994 (1.01687e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.141012578035558 (3.4682e-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: 0.061243295669555664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.14756404349616 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403505422 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545649 (0.0160227% change) linmin: converged after 11 iterations. iteration 4: trace = 4.141348425305289 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051612 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855832 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897512 (4.72872e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.1413304057217 (4.24531e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701248 (4.93853e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141330405700032 (2.93605e-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: 0.04390740394592285 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 = 4.213587255840629 (0.0124585% change) linmin: converged after 9 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 6 iterations. iteration 5: trace = 4.213522375060024 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044295 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642286 (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 (2.07614e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.213521375942172 (2.43507e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941403 (1.82335e-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: 0.04378247261047363 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252167 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771339 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079406 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185593 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323273 (0.00123443% change) linmin: converged after 4 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208688 (5.42823e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.345426131439355 (8.48638e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.345426090356744 (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 2 iterations. iteration 12: trace = 4.345426086022096 (7.44566e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.345426086018987 (7.15379e-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: 0.04717707633972168 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222236 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170424 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449696 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153532 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712891 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 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 = 4.485431457992154 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539728 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.48388337091092 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156653 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625654 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.483799885096504 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938857 (6.82808e-06% change) linmin: converged after 14 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289091 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128212 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624275 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127854 (1.44887e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611406 (3.38206e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.483798754481999 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451544 (6.79218e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798754422126 (6.56101e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798754387683 (7.68158e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 4.483798754356928 (6.85913e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.483798754303916 (1.1823e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.483798754278567 (5.65358e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.483798754271721 (1.52685e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.483798754265765 (1.32837e-10% change) large trace change predicted (4.81956e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.483798754244154 (4.81983e-10% change) large trace change predicted (2.68933e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123574 (2.68922e-09% change) large trace change predicted (9.03484e-09%) linmin: converged after 4 iterations. iteration 34: trace = 4.483798753718466 (9.03495e-09% change) large trace change predicted (3.80028e-08%) linmin: converged after 7 iterations. iteration 35: trace = 4.483798752014515 (3.80024e-08% change) large trace change predicted (1.44438e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538726 (1.44426e-07% change) large trace change predicted (4.6333e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.483798724778243 (4.63011e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696726634 (6.25622e-07% change) linmin: converged after 6 iterations. iteration 39: trace = 4.483798668084273 (6.38797e-07% change) linmin: converged after 8 iterations. iteration 40: trace = 4.483798643147862 (5.56145e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 4.483798621877794 (4.74376e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 6 iterations. iteration 42: trace = 4.483798561199338 (1.35328e-06% change) large trace change predicted (5.83358e-06%) linmin: converged after 7 iterations. iteration 43: trace = 4.483798313962898 (5.514e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 4.483798101265787 (4.74368e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 4.483798058281279 (9.58663e-07% change) linmin: converged after 15 iterations. iteration 46: trace = 4.483798047910916 (2.31285e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.483798039714686 (1.82797e-07% change) linmin: converged after 10 iterations. iteration 48: trace = 4.483798036699413 (6.72482e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.483798033244149 (7.70611e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.483798027631968 (1.25166e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 4.48379802531334 (5.17112e-08% change) linmin: converged after 20 iterations. iteration 52: trace = 4.483798024489694 (1.83694e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 4.483798024240027 (5.5682e-09% change) linmin: converged after 6 iterations. iteration 54: trace = 4.483798024202096 (8.45947e-10% change) linmin: converged after 12 iterations. iteration 55: trace = 4.4837980241927 (2.09555e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.483798024185351 (1.63916e-10% change) large trace change predicted (3.44422e-10%) linmin: converged after 3 iterations. iteration 57: trace = 4.483798024169907 (3.44432e-10% change) linmin: converged after 2 iterations. iteration 58: trace = 4.483798024159173 (2.39407e-10% change) linmin: converged after 6 iterations. iteration 59: trace = 4.4837980241564 (6.18425e-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: 0.16075658798217773 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889757 at Vector3<0.0, 0.0, 0.0> to 0.720091820456399 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480827 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005068 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526799 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822734 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330749 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981636 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% total elapsed time for run: 0.9761347770690918 done /tmp/meepfwWQZ2/test_sq_rods-0: 3.05s /tmp/meepfwWQZ2/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: 0.004654884338378906 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 = 0.9888324390217933 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031214 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897934786 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907767 (6.90243% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2726168891851904 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210206 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716452751 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472876 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135484 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972941 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755898 (0.046255% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2687078756607252 (0.014923% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2686863756603578 (0.00800157% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2686684185721623 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148080031 (0.00424464% change) linmin: converged after 17 iterations. iteration 16: trace = 0.268652805217613 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505034628 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755889 (0.000193421% change) linmin: converged after 6 iterations. iteration 19: trace = 0.2686501381175699 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710278 (0.000107667% change) linmin: converged after 10 iterations. iteration 21: trace = 0.2686495704063583 (0.000103653% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2686494341954686 (5.07021e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830081793 (1.90536e-05% change) linmin: converged after 8 iterations. iteration 24: trace = 0.2686493569011658 (9.71788e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 0.2686493401670464 (6.22898e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250441 (5.26411e-06% change) linmin: converged after 14 iterations. iteration 27: trace = 0.2686493177550091 (3.07838e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 0.2686493141307851 (1.34905e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2686493133317617 (2.97422e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2686493131406507 (7.11377e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 0.2686493130940811 (1.73347e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 0.2686493130827958 (4.20076e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763734 (2.39063e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130709365 (2.02376e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.2686493130667552 (1.55642e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2686493130652058 (5.76726e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.2686493130645825 (2.32046e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.2686493130639919 (2.19814e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635764 (1.54684e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631483 (1.59333e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.2686493130629787 (6.31463e-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: 0.22277164459228516 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131378938 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019352 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640543 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602481 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521678972 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178495 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319422 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.606940339078468 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212686 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656933 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060074 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452269 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828906 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207727 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585751 (2.20243e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 0.6068839789046578 (1.03733e-05% change) linmin: converged after 19 iterations. iteration 17: trace = 0.6068839547900545 (3.97351e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 0.606883945245713 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137261 (4.83122e-07% change) linmin: converged after 20 iterations. iteration 20: trace = 0.6068839407794877 (2.52806e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027495 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340793 (6.07481e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282135 (1.74442e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969785 (5.14679e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.6068839394888982 (1.33144e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859072 (4.92836e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.6068839394838377 (3.41015e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 0.6068839394826209 (2.005e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.6068839394820108 (1.00525e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817219 (4.76005e-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: 0.16358017921447754 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 21 iterations. iteration 1: trace = 1.264470565178877 (5.39004% change) linmin: converged after 7 iterations. iteration 2: trace = 1.235883601252425 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577504285 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286461312 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361840383 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357026515 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436585433 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468525546 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294329952 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238046542 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296099763 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466956222 (0.00611277% change) linmin: converged after 4 iterations. iteration 13: trace = 1.20771981883369 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829505016 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669037 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394522 (0.000124391% change) linmin: converged after 3 iterations. iteration 17: trace = 1.20770478657245 (3.83224e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.207704628833406 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628058 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.20770453578298 (2.55403e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.20770451896597 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350381 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (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 = 1.207704488731018 (2.69616e-07% change) linmin: converged after 28 iterations. iteration 26: trace = 1.207704487630348 (9.11373e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187941 (3.66321e-08% change) linmin: converged after 22 iterations. iteration 28: trace = 1.207704487019389 (1.39564e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 1.207704486953286 (5.4734e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.207704486927153 (2.16387e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.207704486920015 (5.91099e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917501 (2.08107e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916822 (5.62602e-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: 0.17977690696716309 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.937534840488701 (4.15315% change) linmin: converged after 9 iterations. iteration 2: trace = 1.902810987196174 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.892740288337234 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677874298 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637823674 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862615 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.88374243132957 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285428812 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588672 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159753 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357727 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103126 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261362 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.88319388727241 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554692 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574134 (1.55045e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.883192794589782 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.88319275915188 (1.8818e-06% change) linmin: converged after 18 iterations. iteration 19: trace = 1.88319274804275 (5.89909e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 1.883192744742946 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542449 (6.3748e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093152 (2.38583e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851258 (3.18212e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827557 (1.25856e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.883192742817959 (5.09625e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 1.8831927428148 (1.67784e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813693 (5.87421e-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: 0.15287518501281738 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 8 iterations. iteration 1: trace = 2.691331240744543 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720196588 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792282935 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156456098 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929163081 (0.618196% change) linmin: converged after 6 iterations. iteration 6: trace = 2.625855470408069 (0.538767% change) linmin: converged after 7 iterations. iteration 7: trace = 2.618595095218605 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.61486394842613 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559982935209 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632655308 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668710099 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524589415 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071025088 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149644 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488467 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153520022 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282875 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130106353 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970478 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033706994 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019423 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624403 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.60411450033653 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417369 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544148 (7.768e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 2.604108092320789 (5.12737e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 2.604107084206202 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.604106651525088 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464837 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639458 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.60410613975316 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195845 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604111 (1.86597e-06% change) linmin: converged after 3 iterations. iteration 34: trace = 2.604105990411353 (1.35143e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 2.604105970704682 (7.56754e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023471 (3.33366e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.6041059578616 (1.5982e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505164 (9.04892e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483296 (7.76415e-08% change) linmin: converged after 13 iterations. iteration 40: trace = 2.604105952144361 (5.14163e-08% change) linmin: converged after 3 iterations. iteration 41: trace = 2.604105951136476 (3.87037e-08% change) linmin: converged after 19 iterations. iteration 42: trace = 2.604105950573165 (2.16316e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 2.604105950242607 (1.26937e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 2.604105950072069 (6.54884e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 2.60410594997155 (3.86001e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909488 (2.38325e-09% change) linmin: converged after 5 iterations. iteration 47: trace = 2.60410594987232 (1.42727e-09% change) linmin: converged after 7 iterations. iteration 48: trace = 2.604105949849335 (8.82651e-10% change) linmin: converged after 10 iterations. iteration 49: trace = 2.604105949833428 (6.10837e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821816 (4.4593e-10% change) linmin: converged after 13 iterations. iteration 51: trace = 2.604105949814572 (2.78175e-10% change) linmin: converged after 15 iterations. iteration 52: trace = 2.604105949811256 (1.27304e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 2.604105949809355 (7.30057e-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: 0.2861607074737549 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069799636 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355655957 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549844526 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698874345 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158375775 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784713104 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703718 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.17134496696653 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607468 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397914 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524595 (0.000760798% change) linmin: converged after 3 iterations. iteration 12: trace = 3.170977067782426 (0.000242409% change) linmin: converged after 4 iterations. iteration 13: trace = 3.170972828710278 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290356 (4.99664e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 3.170970553226566 (2.17934e-05% change) linmin: converged after 13 iterations. iteration 16: trace = 3.170970265011879 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164110032 (3.18205e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317424 (1.34951e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 3.170970104220449 (5.39172e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225263 (3.15209e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061036 (1.94396e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145857 (9.19334e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948763 (3.77517e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31005e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 3.170970083397897 (4.27167e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 3.17097008335296 (1.41712e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 3.17097008333502 (5.65753e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 3.170970083326961 (2.54174e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 3.170970083323875 (9.73196e-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: 0.15809130668640137 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766635764 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297972006 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008004307 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047493 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312591 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.66638081693654 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636337 (0.00444774% change) linmin: converged after 5 iterations. iteration 8: trace = 3.666150582978095 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642377 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925772 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.666116142667214 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266006 (1.81228e-05% change) linmin: converged after 18 iterations. iteration 13: trace = 3.66611525803746 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.66611519051509 (1.8418e-06% change) linmin: converged after 15 iterations. iteration 15: trace = 3.666115174200301 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279941 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850357 (3.89945e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 3.666115167237356 (1.67207e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 3.666115166888858 (9.50592e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 3.666115166571144 (8.66623e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 4 iterations. iteration 21: trace = 3.666115165884804 (1.87212e-08% change) large trace change predicted (4.39602e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.66611516427318 (4.396e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161715032 (6.97782e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.66611515930568 (6.57195e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 3.666115157581619 (4.70269e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.66611515637112 (3.30186e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 3.666115155743588 (1.71171e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 3.666115155488844 (6.94863e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416274 (1.97947e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 3.66611515539475 (5.8711e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388822 (1.61689e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 3.666115155387478 (3.66792e-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: 0.174393892288208 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358292035 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438932 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16577641413557 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.164897072709951 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358474 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568772 (0.00460398% change) linmin: converged after 4 iterations. iteration 7: trace = 4.164369177257903 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357556 (0.00059159% change) linmin: converged after 4 iterations. iteration 9: trace = 4.164337522751026 (0.000168541% change) linmin: converged after 5 iterations. iteration 10: trace = 4.164335843810516 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889441 (1.2269e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.164335230990685 (2.44694e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.16433520253919 (6.83218e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 4.16433518775648 (3.54984e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 4.164335171932652 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.16433512934348 (1.02271e-06% change) large trace change predicted (8.89366e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759041199 (8.89223e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 18: trace = 4.163167577853347 (0.028032% change) linmin: converged after 6 iterations. iteration 19: trace = 4.163166867716649 (1.70576e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 4.163166155173582 (1.71154e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165440428856 (1.71683e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.163164723697292 (1.7216e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.16316400516715 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163285001877 (1.72985e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.163162563341739 (1.73344e-05% change) linmin: converged after 9 iterations. iteration 26: trace = 4.163161840305374 (1.73675e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161115991569 (1.73982e-05% change) linmin: converged after 20 iterations. iteration 28: trace = 4.163160390480732 (1.74269e-05% change) linmin: converged after 8 iterations. iteration 29: trace = 4.163159663823327 (1.74545e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.163158936093581 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158207312479 (1.75055e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157477501239 (1.75302e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.1631567466695 (1.75547e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.163156014816309 (1.75793e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.163155281924494 (1.76042e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.163154547988507 (1.76293e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 4.163153812969774 (1.76553e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.163153076844683 (1.76819e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 4.163152339568214 (1.77096e-05% change) linmin: converged after 10 iterations. iteration 40: trace = 4.163151601094802 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150861366489 (1.77685e-05% change) linmin: converged after 18 iterations. iteration 42: trace = 4.163150120337079 (1.77997e-05% change) linmin: converged after 9 iterations. iteration 43: trace = 4.163149377947414 (1.78324e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.163148634138187 (1.78665e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 4.163147888839058 (1.79023e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 4.163147141981497 (1.79397e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.163146393494435 (1.79789e-05% change) linmin: converged after 16 iterations. iteration 48: trace = 4.163145643304694 (1.80198e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.163144891337117 (1.80625e-05% change) linmin: converged after 7 iterations. iteration 50: trace = 4.163144137514846 (1.8107e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.163143381759674 (1.81535e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142623991929 (1.82018e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 4.163141864130939 (1.82521e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.163141102094985 (1.83043e-05% change) linmin: converged after 11 iterations. iteration 55: trace = 4.163140337801628 (1.83586e-05% change) linmin: converged after 11 iterations. iteration 56: trace = 4.163139571167647 (1.84148e-05% change) linmin: converged after 12 iterations. iteration 57: trace = 4.163138802109344 (1.8473e-05% change) linmin: converged after 9 iterations. iteration 58: trace = 4.163138030542482 (1.85333e-05% change) linmin: converged after 6 iterations. iteration 59: trace = 4.16313725638252 (1.85956e-05% change) linmin: converged after 17 iterations. iteration 60: trace = 4.163136479544573 (1.86599e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 4.163135699943616 (1.87263e-05% change) linmin: converged after 10 iterations. iteration 62: trace = 4.163134917494516 (1.87947e-05% change) linmin: converged after 10 iterations. iteration 63: trace = 4.163134132112027 (1.88652e-05% change) linmin: converged after 8 iterations. iteration 64: trace = 4.163133343710971 (1.89377e-05% change) linmin: converged after 7 iterations. iteration 65: trace = 4.163132552206249 (1.90122e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.16313175751296 (1.90888e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.163130959546328 (1.91675e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.163130158221916 (1.92481e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 4.163129353455564 (1.93308e-05% change) resetting CG direction... large trace change predicted (0.200481%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754245510407 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.15173076788249 (0.072798% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327717100708 (0.0338001% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564335379193 (0.018395% change) linmin: converged after 5 iterations. iteration 74: trace = 4.149045201641229 (0.0125113% change) linmin: converged after 7 iterations. iteration 75: trace = 4.148540725452632 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913016108395 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.146963344459174 (0.0228978% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419666151612 (0.0372312% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768429829017 (0.0398407% change) linmin: converged after 4 iterations. iteration 80: trace = 4.14281362387139 (0.0230446% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427720615804 (0.00931544% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309327545611 (0.0028581% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291880828 (0.000942369% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228294336 (0.00026709% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098503172 (0.00012384% change) linmin: converged after 4 iterations. iteration 86: trace = 4.14225182546923 (5.48743e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854513584 (2.34403e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.14225045821334 (9.56727e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 4.142250015988236 (1.0676e-05% change) linmin: converged after 4 iterations. iteration 90: trace = 4.142249199717005 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059500087 (2.75265e-05% change) linmin: converged after 6 iterations. iteration 92: trace = 4.142246315184003 (4.21104e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 4.142245417573851 (2.16696e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181152836 (5.70756e-06% change) linmin: converged after 7 iterations. iteration 95: trace = 4.142245107963932 (1.76689e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102365 (4.79488e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893739 (2.70593e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669429 (1.26123e-07% change) linmin: converged after 18 iterations. iteration 99: trace = 4.14224506975574 (4.61993e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000498 (1.82327e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068687292 (7.56125e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.142245068426465 (6.29675e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.142245068025394 (9.68246e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241641 (1.8921e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287526 (2.30338e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 4.142245065572538 (1.72609e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259723 (7.55184e-09% change) linmin: converged after 4 iterations. iteration 108: trace = 4.142245065162617 (2.34427e-09% change) linmin: converged after 2 iterations. iteration 109: trace = 4.142245065142509 (4.85446e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 4.142245065136625 (1.42053e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 4.142245065134212 (5.82578e-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: 0.5951113700866699 zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168 yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.66576646587618 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826913 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.65889136343898 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658710963539905 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855449 (0.000513549% change) linmin: converged after 5 iterations. iteration 6: trace = 4.658683256679821 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128453 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170777 (3.60526e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.658682176904296 (1.03605e-06% change) linmin: converged after 25 iterations. iteration 10: trace = 4.658682160894794 (3.43649e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.658682157651022 (6.96285e-08% change) linmin: converged after 17 iterations. iteration 12: trace = 4.658682156823374 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624822 (4.26196e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.658682156534677 (1.93498e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65868215647283 (1.32757e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406849 (1.4163e-09% change) linmin: converged after 12 iterations. iteration 17: trace = 4.658682156300642 (2.27978e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 4.658682156170636 (2.7906e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.65868215606024 (2.36969e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016951 (9.2921e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 4.658682156004993 (2.56691e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 4.658682156001969 (6.48973e-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: 0.12103152275085449 zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977 yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684409 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.22647648399617 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.22599683203071 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241165 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252779 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954253 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024463 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503557 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532268 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078974 (6.60813e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82468e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909173 (4.13826e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.22582194183999 (1.32387e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.22582194182071 (3.68931e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 5.225821941816028 (8.96027e-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: 0.0889580249786377 zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547 yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654945 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596236 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013058 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146363 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450399 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.84497115165891 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856531 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036914 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184173 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596864 (1.77272e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13527e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.84497031125801 (3.44256e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 5.844970311254003 (6.85626e-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: 0.08894062042236328 zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846 yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 2.2378175258636475 done /tmp/meepfwWQZ2/test_strip-0: 2.24s /tmp/meepfwWQZ2/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: 0.0016355514526367188 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 13 iterations. iteration 1: trace = 16.43562660590533 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920810855171 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941397254133 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442393609876 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051176378 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721696995334 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188199361 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673604635 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252877781 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.55244385730382 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665186309 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017062059 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865137097 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098471844 (0.00448265% change) linmin: converged after 6 iterations. iteration 15: trace = 5.549201514032061 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844751994 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740781735 (0.00266904% change) linmin: converged after 5 iterations. iteration 18: trace = 5.548754804761282 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091157705 (0.00199531% change) linmin: converged after 14 iterations. iteration 20: trace = 5.548524364285475 (0.00215779% change) linmin: converged after 7 iterations. iteration 21: trace = 5.548418602726031 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793424384 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771337675 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174457721 (0.000984045% change) linmin: converged after 5 iterations. iteration 25: trace = 5.548144653665579 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351759616 (0.000311851% change) linmin: converged after 5 iterations. iteration 27: trace = 5.548121244543283 (0.000110077% change) linmin: converged after 4 iterations. iteration 28: trace = 5.548118926956778 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004988 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904026016 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474841 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.54811775729463 (7.42238e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 5.548117740307523 (3.06178e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 5.548117733319989 (1.25944e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 5.548117730674539 (4.76819e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 5.548117729177087 (2.69903e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.54811772823478 (1.69843e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523436 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999217 (9.44859e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 5.548117726687242 (5.62307e-09% change) linmin: converged after 12 iterations. iteration 41: trace = 5.548117726496123 (3.44476e-09% change) linmin: converged after 6 iterations. iteration 42: trace = 5.548117726360604 (2.44261e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 5.548117726206085 (2.78507e-09% change) linmin: converged after 10 iterations. iteration 44: trace = 5.548117726001972 (3.67896e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.548117725798148 (3.67374e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621693 (3.18045e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 5.54811772548158 (2.52541e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.548117725398308 (1.50091e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355068 (7.79365e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 5.548117725335229 (3.57585e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 5.548117725327509 (1.39147e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14027929306030273 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696579 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490528 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957808 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552694 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966818 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.5684121262993 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122109 (0.00772541% change) linmin: converged after 13 iterations. iteration 8: trace = 5.567696791864479 (0.0051217% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567558435607828 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.56746948848721 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620834 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724767054 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307485 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796394108 (2.54861e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.567409186003925 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969473 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776892014 (2.19272e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 5.567408723106361 (9.66081e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 5.567408704724748 (3.30165e-07% change) linmin: converged after 22 iterations. iteration 20: trace = 5.567408695925389 (1.58051e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567408689562797 (1.14283e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567408680883132 (1.55901e-07% change) linmin: converged after 22 iterations. iteration 23: trace = 5.567408666017566 (2.67011e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 5.56740864508755 (3.75938e-07% change) linmin: converged after 8 iterations. iteration 25: trace = 5.567408614756893 (5.44789e-07% change) large trace change predicted (2.01089e-06%) linmin: converged after 7 iterations. iteration 26: trace = 5.567408502817544 (2.01062e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934851085883 (0.00850794% change) linmin: converged after 6 iterations. iteration 28: trace = 5.566934545905098 (5.48203e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.566934240708354 (5.48231e-06% change) linmin: converged after 14 iterations. iteration 30: trace = 5.566933935594792 (5.48082e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.566933630650491 (5.47778e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.566933325949387 (5.47341e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933021554375 (5.46791e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932717518105 (5.46147e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.566932413884034 (5.45424e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932110687171 (5.44639e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931807954935 (5.43804e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931505707939 (5.42933e-06% change) linmin: converged after 7 iterations. iteration 39: trace = 5.566931203960672 (5.42035e-06% change) linmin: converged after 8 iterations. iteration 40: trace = 5.56693090267999 (5.41197e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930601954319 (5.402e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 5.566930301741351 (5.39279e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930002002285 (5.38428e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929702799305 (5.37465e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.566929404087308 (5.36583e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 5.566929105853363 (5.35724e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928808082306 (5.34893e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 5.566928510757001 (5.34092e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.566928213858596 (5.33325e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 5.566927917347009 (5.32631e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.56692762122093 (5.31938e-06% change) linmin: converged after 9 iterations. iteration 52: trace = 5.566927325476911 (5.31252e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927030055449 (5.30672e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926734965617 (5.30077e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 5.566926440152751 (5.29579e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 5.566926145605333 (5.29102e-06% change) linmin: converged after 11 iterations. iteration 57: trace = 5.56692585129894 (5.28669e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.566925557217568 (5.28265e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925263323734 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924969591318 (5.27639e-06% change) linmin: converged after 11 iterations. iteration 61: trace = 5.566924675991352 (5.27401e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924382500619 (5.27204e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.56692408909511 (5.27051e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 5.566923795746237 (5.2695e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 5.566923502428038 (5.26895e-06% change) linmin: converged after 7 iterations. iteration 66: trace = 5.566923209114688 (5.26886e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922915780499 (5.26923e-06% change) linmin: converged after 7 iterations. iteration 68: trace = 5.566922622400043 (5.27007e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 5.566922328948073 (5.27135e-06% change) resetting CG direction... large trace change predicted (0.0754159%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718724088476 (0.0755389% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516689051939 (0.057579% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556792860791985 (0.049006% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011677048612 (0.0500627% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006779099208 (0.0361047% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548773465738 (0.0262643% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458153453674 (0.0196508% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474786698042 (0.0177216% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547114994145568 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236125369406 (0.0338768% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543228836172743 (0.036205% change) linmin: converged after 5 iterations. iteration 81: trace = 5.54188438803612 (0.0242568% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240119330554 (0.0116261% change) linmin: converged after 3 iterations. iteration 83: trace = 5.540832156463316 (0.00736257% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123603491 (0.00361022% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551228938874 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984810396 (0.000600017% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507597169288 (0.000187485% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503183395751 (7.96637e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501523814546 (2.99536e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.54050079214998 (1.32057e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500270567273 (9.414e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499833542576 (7.88782e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499530669242 (5.46653e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499208216812 (5.81992e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785955451 (7.62136e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246327814 (9.73969e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716385169 (9.56489e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 5.540497529901405 (3.36583e-06% change) linmin: converged after 8 iterations. iteration 99: trace = 5.540497433326616 (1.74307e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 5.540497373155734 (1.08602e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 5.540497320964809 (9.4199e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282508619 (6.94093e-07% change) linmin: converged after 9 iterations. iteration 103: trace = 5.54049726043355 (3.98431e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241822 (1.8395e-07% change) linmin: converged after 2 iterations. iteration 105: trace = 5.540497245842301 (7.94066e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244299191 (2.78515e-08% change) linmin: converged after 7 iterations. iteration 107: trace = 5.540497243578674 (1.30046e-08% change) linmin: converged after 16 iterations. iteration 108: trace = 5.540497243253048 (5.87719e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243064197 (3.40857e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.540497242958664 (1.90475e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 5.540497242915103 (7.86224e-10% change) linmin: converged after 3 iterations. iteration 112: trace = 5.540497242880074 (6.32249e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 5.540497242844611 (6.40056e-10% change) linmin: converged after 15 iterations. iteration 114: trace = 5.540497242790606 (9.74744e-10% change) linmin: converged after 7 iterations. iteration 115: trace = 5.540497242723315 (1.21452e-09% change) linmin: converged after 18 iterations. iteration 116: trace = 5.540497242658475 (1.1703e-09% change) linmin: converged after 22 iterations. iteration 117: trace = 5.540497242618894 (7.1439e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597725 (3.82075e-10% change) linmin: converged after 3 iterations. iteration 119: trace = 5.540497242587068 (1.92352e-10% change) linmin: converged after 3 iterations. iteration 120: trace = 5.540497242581514 (1.0024e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4206533432006836 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.51428508189059 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029239846 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032636 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774635 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600533 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472925 (0.00159856% change) linmin: converged after 7 iterations. iteration 7: trace = 5.499394110717585 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402902834 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154643122 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203353577 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158966 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510662 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565684 (8.71826e-07% change) linmin: converged after 13 iterations. iteration 15: trace = 5.499374952684464 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845075 (1.92605e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.499374946585434 (4.72129e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.49937494645959 (2.28832e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.49937494637318 (6.27206e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.499374946343331 (5.42771e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.499374946309961 (6.06808e-10% change) linmin: converged after 13 iterations. iteration 24: trace = 5.499374946288362 (3.92749e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55869e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09241175651550293 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070075768 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109190608 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111950032 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983973703 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583408 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149544 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235779 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634513 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450184 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535456 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 19 iterations. iteration 12: trace = 5.485459175740716 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.485459100856724 (4.07767e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161553 (1.94973e-07% change) linmin: converged after 5 iterations. iteration 16: trace = 5.485459083892644 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.2587e-08% change) linmin: converged after 21 iterations. iteration 18: trace = 5.485459080639288 (1.67217e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.485459080258165 (6.94787e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.485459080162864 (1.73733e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 5.485459080117769 (8.22091e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098437 (3.52424e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.485459080091236 (1.31265e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08553910255432129 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023687826 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601556041 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987771088 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809285562 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433688 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.50461574266735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728521 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831478 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534792 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715215 (0.000137015% change) linmin: converged after 3 iterations. iteration 11: trace = 5.504370385450912 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323702 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496825 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098131 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759299 (8.49034e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.504362239277651 (3.46056e-06% change) linmin: converged after 15 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909912 (8.29626e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222045 (3.57678e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716736 (1.18185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.504362093490909 (4.04375e-08% change) linmin: converged after 5 iterations. iteration 22: trace = 5.504362092750759 (1.34466e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 5.504362092362587 (7.05207e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.504362092126028 (4.29767e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030182 (1.74127e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.504362091995302 (6.33673e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984242 (2.0094e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09891486167907715 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373829442 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679627401 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373692 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343180826 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553185535 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996605714 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367570179 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112743789 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684986 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952442362 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714967 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.53937833426003 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347190007 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693587 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689274 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647886 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294877 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327798 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295126 (8.84716e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.538867928490538 (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 = 5.53886753076535 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460339 (2.49699e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282536028 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566462 (1.55211e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 5.538867107786956 (1.60285e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688633 (2.11412e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904154682 (1.5623e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 5.538866877340717 (4.84106e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.5388668710361 (1.13825e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 5.538866869549472 (2.68399e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090048 (8.29454e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868883961 (3.72075e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762705 (2.18918e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 5.53886686869322 (1.2545e-09% change) linmin: converged after 9 iterations. iteration 37: trace = 5.538866868641617 (9.31656e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615266 (4.75754e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605688 (1.7291e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 5.538866868600137 (1.00221e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 5.538866868590852 (1.67634e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 5.538866868573518 (3.12963e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559318 (2.56358e-10% change) linmin: converged after 14 iterations. iteration 44: trace = 5.538866868553965 (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: 0.15384697914123535 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033722721 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081934133 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780894521 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922737031 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084571 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869433 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.42007975703143 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599827 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792409 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109805 (0.000625805% change) linmin: converged after 4 iterations. iteration 11: trace = 5.419810483680845 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901285 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057768 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677877 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850965193 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322976 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546827 (4.38691e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.419797738573569 (1.84015e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.419797735608469 (5.47087e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734089029 (2.8035e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.419797733507783 (1.07245e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.419797733261664 (4.54112e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.419797733151186 (2.03841e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 5.419797733054172 (4.21425e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031985 (4.09364e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 5.419797733016721 (2.81638e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 5.419797733003431 (2.45209e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.41979773298945 (2.57975e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.419797732963331 (1.94276e-10% change) linmin: converged after 14 iterations. iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11603951454162598 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585094162 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345170468 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628577863 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773568184 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212074 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235879623 (0.00400633% change) linmin: converged after 5 iterations. iteration 7: trace = 5.240908449573092 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597354 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765804 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877275 (9.17004e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.240854364699072 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786498 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321853 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.24085395074316 (6.91047e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.240853949555021 (2.26707e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179423 (7.16674e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.240853949031688 (2.8189e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976923 (1.04496e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.240853948939868 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07547e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.240853948833736 (9.4962e-10% change) linmin: converged after 18 iterations. iteration 23: trace = 5.240853948802548 (5.95084e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778211 (4.6437e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757243 (4.0009e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.240853948742305 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735853 (1.23105e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733916 (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: 0.09915709495544434 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.10247298491282 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052821 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866127 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833581 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986505 (0.00298415% change) linmin: converged after 4 iterations. iteration 6: trace = 5.096573167031528 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978204 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.09654455014369 (1.92647e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659976 (2.58582e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.096544274637562 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956445 (1.33643e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71739e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.096544273707476 (1.16767e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.096544273672401 (6.88212e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.9228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547276 (1.46281e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463899 (1.63595e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.40006e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.096544273414491 (2.29445e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08504271507263184 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910257 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962008 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252311 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190496 (0.00358098% change) linmin: converged after 7 iterations. iteration 5: trace = 5.006460294301304 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180209 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863523 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310692 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672481 (6.60426e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.0064365391388 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297353 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318636 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20241e-08% change) linmin: converged after 23 iterations. iteration 15: trace = 5.006436496812785 (8.02851e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.006436496713429 (1.98455e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.006436496673625 (7.95069e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.006436496632912 (8.13217e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 3 iterations. iteration 19: trace = 5.006436496522669 (2.20201e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.006436496410068 (2.24913e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05499e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344439 (2.55892e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08191132545471191 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750426394 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350140194 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668873644 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931979 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.9759992053625 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.975987153191778 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125865 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449346 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964303 (2.30075e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.97598430121141 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705355 (3.92004e-07% change) linmin: converged after 6 iterations. iteration 12: trace = 4.975984271802616 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495481 (8.65585e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893695 (5.4035e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819602 (1.48901e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.975984265774336 (9.0969e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706849 (1.35626e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533266 (3.48841e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426864 (2.13831e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393333 (6.73865e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.975984265384497 (1.77565e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08144211769104004 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627272 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694839757 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796212955 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352509 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550608 (0.00280715% change) linmin: converged after 6 iterations. iteration 6: trace = 5.036388281602306 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251286 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106184 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34382e-08% change) linmin: converged after 30 iterations. iteration 14: trace = 5.036378480128369 (1.55435e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954638 (3.44953e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.036378479909366 (8.98887e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25273e-10% change) linmin: converged after 16 iterations. iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06464910507202148 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352168817 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254319178 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459516231 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.20740719111832 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347192 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445574 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487709 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181462 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.20657139421153 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.206567821670568 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737291 (1.95434e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.206566313192128 (3.94601e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927628 (2.16219e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29693e-10% change) linmin: converged after 15 iterations. iteration 20: trace = 5.206566305893735 (1.21271e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07491207122802734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300327 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749443 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421224 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553044 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971101 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.41785772333391 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575128 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811468 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895424 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169103 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.417088991729025 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.41708885820765 (2.46482e-06% change) linmin: converged after 21 iterations. iteration 17: trace = 5.417088812132393 (8.50554e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.417088788744924 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389863 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680246 (1.054e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.417088768321163 (4.35489e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 5.417088767370204 (1.75548e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928416 (8.15547e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.417088766681355 (4.56077e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554595 (2.33998e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 5.417088766462991 (1.69104e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.417088766423708 (7.25156e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.417088766412556 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10385274887084961 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178992942 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.54949890238194 (0.909518% change) linmin: converged after 7 iterations. iteration 3: trace = 5.534363640712009 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903139394 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966094115 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061864359 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055230325 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882390533 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699671239 (0.00194077% change) linmin: converged after 4 iterations. iteration 10: trace = 5.52254069646429 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191868 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366928774 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787120916 (0.00104267% change) linmin: converged after 4 iterations. iteration 14: trace = 5.522279640463562 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167742 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549806 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291888 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808152 (3.61235e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 5.522267691563167 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643991 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937725 (1.93874e-07% change) linmin: converged after 18 iterations. iteration 22: trace = 5.522267653032028 (7.07263e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.522267650434996 (4.70284e-08% change) linmin: converged after 17 iterations. iteration 24: trace = 5.522267648929227 (2.72672e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.522267648122262 (1.46129e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457964 (1.20294e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.522267646822531 (1.15067e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.522267646290373 (9.63659e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965349 (5.88569e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.522267645803383 (2.93295e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716783 (1.5682e-09% change) linmin: converged after 12 iterations. iteration 32: trace = 5.52226764567925 (6.79676e-10% change) linmin: converged after 5 iterations. iteration 33: trace = 5.522267645667596 (2.11033e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11998653411865234 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343689584 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468798356 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938904 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740608 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262284 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107766295 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885895645 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641691 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938947366 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951397795 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.5692568807753 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664427222 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502528049 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283158857 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673345931 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201869147 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389094751 (0.0149469% change) linmin: converged after 7 iterations. iteration 18: trace = 5.563783785139663 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008808352 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637790889 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813631246596 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618713583 (0.0269652% change) linmin: converged after 10 iterations. iteration 23: trace = 5.556960245069321 (0.0243696% change) linmin: converged after 13 iterations. iteration 24: trace = 5.555789586225054 (0.0210688% change) linmin: converged after 5 iterations. iteration 25: trace = 5.55479872055854 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994113747302 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035493455 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676504293 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969621722 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060557256 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956583287 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590067667 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526417464 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677046615 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864324825069 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188730021 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717614253 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744693352 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430259206 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903241969 (0.00231572% change) linmin: converged after 4 iterations. iteration 42: trace = 5.550004421559369 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461428066 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756475371 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477092357 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231059002 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437514302 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430505917 (0.00133358% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300133808 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831509652 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789252495 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392702872 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424282619 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078953950442 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214246225 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.54898160326973 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.54893644131103 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438355841 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.54885547219858 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214181233 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940356195 (0.000671746% change) linmin: converged after 4 iterations. iteration 62: trace = 5.548742718995132 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704069980684 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460443484 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157812784 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782737487 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723773046 (0.000523719% change) linmin: converged after 4 iterations. iteration 68: trace = 5.548544403250723 (0.000456344% change) linmin: converged after 5 iterations. iteration 69: trace = 5.54852291959788 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976694497 (0.00347743% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222528725 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081080814 (0.000939789% change) linmin: converged after 5 iterations. iteration 73: trace = 5.548158373786155 (0.000391251% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375773417 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673473507 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864891512 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837044793 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589429233 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381331 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649319518 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113862 (4.88491e-05% change) linmin: converged after 6 iterations. iteration 82: trace = 5.548119009802553 (3.47741e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534253 (1.34689e-05% change) linmin: converged after 5 iterations. iteration 84: trace = 5.548117907881999 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.54811780201584 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.54811774168687 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20952e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 5.548117726415593 (5.42991e-08% change) linmin: converged after 15 iterations. iteration 89: trace = 5.548117725588878 (1.49008e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 5.548117725372818 (3.89429e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334787 (6.85474e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 5.548117725327039 (1.39659e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.24992132186889648 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% total elapsed time for run: 2.0707852840423584 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepfwWQZ2/test_subpixel_averaging-0-epsilon.h5... /tmp/meepfwWQZ2/test_subpixel_averaging-0: 2.08s /tmp/meepfwWQZ2/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: 0.05526161193847656 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 = 3.090147276233743 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397523720697594 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543338 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370426 (3.67554% change) linmin: converged after 8 iterations. iteration 6: trace = 2.048480958527553 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743746898 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675579469 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177313777 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.04046661825746 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065978462 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.04035411128717 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825733 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970399 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622544 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340868 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845975 (4.68035e-06% change) linmin: converged after 16 iterations. iteration 18: trace = 2.040335672642782 (1.8724e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 2.040335654413311 (8.93455e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 2.040335648243751 (3.0238e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040335646291804 (9.56679e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.040335645616527 (3.30964e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 2.040335645457562 (7.79111e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040335645416267 (2.02393e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.04033564540416 (5.93393e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.040335645401662 (1.22453e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.04033564540094 (3.53907e-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: 2.3033318519592285 total elapsed time for run: 2.358684778213501 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: 0.05256080627441406 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965929 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771011 (22.0544% change) linmin: converged after 7 iterations. iteration 4: trace = 2.981724017015067 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662621 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471263 (4.77209% change) linmin: converged after 5 iterations. iteration 7: trace = 2.552598023165622 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499992242115593 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.481050506315762 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473183610582626 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990919 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895059 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620014 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373043 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297645 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 2.47008672638708 (4.93464e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470086678531696 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747163 (1.28678e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 2.470086621328254 (1.02907e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 2.470086599230556 (8.94612e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12577e-07% change) linmin: converged after 7 iterations. iteration 23: trace = 2.470086560435123 (7.58034e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 2.470086542626183 (7.20984e-07% change) linmin: converged after 5 iterations. iteration 25: trace = 2.470086525398654 (6.97446e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.470086508443809 (6.86407e-07% change) linmin: converged after 6 iterations. iteration 27: trace = 2.470086491432143 (6.88707e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 2.47008647397101 (7.06904e-07% change) linmin: converged after 6 iterations. iteration 29: trace = 2.470086455551511 (7.45703e-07% change) linmin: converged after 5 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470086412632984 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334097 (1.10518e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.47008635057863 (1.40705e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 2.470086303711516 (1.89739e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 2.470086256803579 (1.89904e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 2.470086237769363 (7.70589e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.470086227711356 (4.07193e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.470086220769943 (2.81019e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 2.470086215312814 (2.20929e-07% change) linmin: converged after 5 iterations. iteration 40: trace = 2.47008621070389 (1.8659e-07% change) linmin: converged after 10 iterations. iteration 41: trace = 2.470086206637609 (1.64621e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 2.470086202945004 (1.49493e-07% change) linmin: converged after 6 iterations. iteration 43: trace = 2.470086199523805 (1.38505e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 2.470086196306478 (1.30252e-07% change) linmin: converged after 7 iterations. iteration 45: trace = 2.470086193246965 (1.23863e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 2.47008619031146 (1.18842e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 2.470086187474285 (1.14861e-07% change) linmin: converged after 5 iterations. iteration 48: trace = 2.470086184715303 (1.11696e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 2.470086182017748 (1.09209e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 2.4700861793676 (1.0729e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752158 (1.05885e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 2.470086174160272 (1.04931e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580697 (1.04433e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 2.47008616900311 (1.04352e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 2.470086166416666 (1.04711e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 2.470086163810144 (1.05524e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 2.470086161171722 (1.06815e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488299 (1.08637e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745301 (1.11049e-07% change) linmin: converged after 5 iterations. iteration 60: trace = 2.470086152925971 (1.14139e-07% change) linmin: converged after 9 iterations. iteration 61: trace = 2.470086150010644 (1.18025e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 2.470086146975617 (1.22871e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470086143792007 (1.28887e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 2.470086140422467 (1.36414e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818574 (1.45901e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 2.470086132913965 (1.58076e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 2.470086128613795 (1.7409e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 2.470086123775036 (1.95894e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 2.470086118170339 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08617e-06%) linmin: converged after 6 iterations. iteration 70: trace = 2.4700859924031 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449085 (3.03447e-06% change) linmin: converged after 9 iterations. iteration 72: trace = 2.470085857051608 (2.44516e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 2.470085794433866 (2.53504e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 2.47008568465571 (4.44431e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666271439 (7.44277e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659656401 (2.67806e-07% change) linmin: converged after 4 iterations. iteration 77: trace = 2.470085656851762 (1.13544e-07% change) linmin: converged after 11 iterations. iteration 78: trace = 2.470085655578595 (5.15434e-08% change) linmin: converged after 13 iterations. iteration 79: trace = 2.470085654979452 (2.42559e-08% change) linmin: converged after 8 iterations. iteration 80: trace = 2.470085654691839 (1.16438e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 2.470085654552126 (5.65621e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.470085654484016 (2.75741e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654450713 (1.34822e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 2.470085654434439 (6.58847e-10% change) linmin: converged after 4 iterations. iteration 85: trace = 2.470085654426459 (3.23059e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 2.470085654422856 (1.45861e-10% change) linmin: converged after 3 iterations. iteration 87: trace = 2.470085654421001 (7.5115e-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: 5.716960906982422 total elapsed time for run: 5.769617080688477 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: 0.05254364013671875 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 = 18.02221847556455 (194.149% change) linmin: converged after 12 iterations. iteration 2: trace = 3.363324203114518 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763886 (19.947% change) linmin: converged after 7 iterations. iteration 4: trace = 2.542376250784825 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306857 (3.2827% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396838326976526 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615576 (2.28738% change) linmin: converged after 5 iterations. iteration 8: trace = 2.31389728125012 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300812929609132 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307679614 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109431983 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222392094 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668029893 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588994 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338955 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.293694194409696 (0.00280739% change) linmin: converged after 11 iterations. iteration 17: trace = 2.293618199025478 (0.00331329% change) linmin: converged after 4 iterations. iteration 18: trace = 2.293528069880244 (0.00392964% change) linmin: converged after 5 iterations. iteration 19: trace = 2.293451007229581 (0.00336006% change) linmin: converged after 6 iterations. iteration 20: trace = 2.29340643253423 (0.00194358% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293384561761906 (0.000953642% change) linmin: converged after 4 iterations. iteration 22: trace = 2.293373743492525 (0.000471717% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474412943 (0.000142545% change) linmin: converged after 4 iterations. iteration 24: trace = 2.293369520041892 (4.16144e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 2.293369112325264 (1.77781e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.293368934280699 (7.76345e-06% change) linmin: converged after 15 iterations. iteration 27: trace = 2.293368844736082 (3.9045e-06% change) linmin: converged after 8 iterations. iteration 28: trace = 2.29336882107163 (1.03186e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820579976 (2.14381e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 2.293368820562555 (7.59613e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 2.293368820561557 (4.35304e-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: 2.067910671234131 total elapsed time for run: 2.120556592941284 done /tmp/meepfwWQZ2/test_symmetry_overlap-0: 10.76s /tmp/meepfwWQZ2/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: 0.002622365951538086 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 = 13.34289714972896 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652262 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223164 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935823 (1.62145% change) linmin: converged after 6 iterations. iteration 7: trace = 4.525096086376153 (1.06913% change) linmin: converged after 7 iterations. iteration 8: trace = 4.490878663187869 (0.75904% change) linmin: converged after 5 iterations. iteration 9: trace = 4.47197267315708 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096503293 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855008 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636341 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858748 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036779 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637669 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333837 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544555 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036334 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.452989908418395 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844784 (0.00355295% change) linmin: converged after 4 iterations. iteration 22: trace = 4.452615931157512 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453891 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.452296186462635 (0.0033444% change) linmin: converged after 5 iterations. iteration 25: trace = 4.452144807934248 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.452028010938923 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503806 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675585 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809178 (0.000110488% change) linmin: converged after 4 iterations. iteration 30: trace = 4.451951355107944 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388858661 (2.1704e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.451949935124787 (1.01918e-05% change) linmin: converged after 17 iterations. iteration 33: trace = 4.451949721654948 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638044333 (1.87807e-06% change) linmin: converged after 10 iterations. iteration 35: trace = 4.451949603091121 (7.85121e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 4.451949587125339 (3.58624e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 4.451949578414736 (1.95658e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 4.451949573497765 (1.10445e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787226 (6.08843e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 4.451949569043665 (3.9164e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780623 (5.08326e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367886 (9.91192e-08% change) large trace change predicted (2.08751e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074408 (2.08751e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 4.451949540842983 (2.74743e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 4.451949529999652 (2.43564e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238097 (1.51879e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 4.451949519159004 (9.16249e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.451949516240804 (6.55488e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 4.451949514432186 (4.06253e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681802 (1.68552e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 4.451949513453069 (5.13781e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 4.45194951339295 (1.3504e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373063 (4.46708e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.45194951336368 (2.10775e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.45194951335844 (1.17687e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 4.4519495133559 (5.70579e-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: 0.15095758438110352 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467088697 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.47004955757308 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947758968 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.46732914258891 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419394401 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349496484 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292011072 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095566394 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970894671 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380057723 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568828668 (0.0378343% change) linmin: converged after 7 iterations. iteration 12: trace = 4.460811970282606 (0.0458914% change) linmin: converged after 5 iterations. iteration 13: trace = 4.459584283475678 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661361837 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458964421196186 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960311353 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092714899 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032321756 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161063318 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017333146 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.458895960737981 (2.36963e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419236236 (1.21443e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.458895086269089 (7.46748e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672862503 (9.2715e-06% change) linmin: converged after 6 iterations. iteration 25: trace = 4.458893966773802 (1.58355e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812030476 (2.58975e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509284777 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613134 (2.32271e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.458889874545046 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685373 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435792 (2.1586e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 4.458889488492753 (8.50953e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720157 (3.31307e-07% change) linmin: converged after 20 iterations. iteration 34: trace = 4.458889468163889 (1.24611e-07% change) linmin: converged after 23 iterations. iteration 35: trace = 4.458889466116732 (4.59118e-08% change) linmin: converged after 15 iterations. iteration 36: trace = 4.458889465242262 (1.96118e-08% change) linmin: converged after 19 iterations. iteration 37: trace = 4.458889464752221 (1.09902e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 4.458889464463179 (6.48237e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 4.458889464280353 (4.10026e-09% change) linmin: converged after 9 iterations. iteration 40: trace = 4.458889464100627 (4.03072e-09% change) linmin: converged after 7 iterations. iteration 41: trace = 4.458889463833423 (5.99261e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 4.458889463451229 (8.57152e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 4.458889462992351 (1.02913e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 4.458889462497361 (1.11012e-08% change) linmin: converged after 6 iterations. iteration 45: trace = 4.458889462139589 (8.02378e-09% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458889461932944 (4.63446e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 4.458889461821264 (2.50465e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773404 (1.07337e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.458889461754984 (4.13106e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749089 (1.32204e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 4.458889461747202 (4.23085e-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: 0.1774606704711914 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134806156 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356465116 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723193555 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957766 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223098 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539142 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618848 (0.0027408% change) linmin: converged after 5 iterations. iteration 8: trace = 4.481900761942839 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982582 (0.00181164% change) linmin: converged after 7 iterations. iteration 10: trace = 4.481727172834765 (0.00206155% change) linmin: converged after 4 iterations. iteration 11: trace = 4.481640274020339 (0.00193898% change) linmin: converged after 5 iterations. iteration 12: trace = 4.481586984826237 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482778 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049644 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259473 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617264 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.48155467543528 (1.8561e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.481554649662217 (5.75092e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.481554642967501 (1.49384e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.481554640848132 (4.72909e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.48155464016311 (1.52854e-08% change) linmin: converged after 14 iterations. iteration 23: trace = 4.48155463985519 (6.87083e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.48155463968686 (3.75607e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.481554639614043 (1.62482e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.481554639589961 (5.3736e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 4.481554639582895 (1.57656e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580309 (5.77116e-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: 0.09838700294494629 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.543019728981141 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824073 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322886904 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374218 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372581488 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483913888 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349621 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839052 (0.000360962% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534250296428466 (0.000134795% change) linmin: converged after 4 iterations. iteration 10: trace = 4.534247094429852 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850399098 (4.94907e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.534242751424718 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054214 (3.40161e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 4.534240295109202 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207022 (9.08426e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.534239659653624 (4.93034e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534239494917881 (3.63315e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.534239415265837 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667364 (7.85104e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.534239370364455 (2.0517e-07% change) linmin: converged after 12 iterations. iteration 21: trace = 4.534239368024675 (5.16025e-08% change) linmin: converged after 8 iterations. iteration 22: trace = 4.534239367497577 (1.16248e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 4.534239367336914 (3.54332e-09% change) linmin: converged after 7 iterations. iteration 24: trace = 4.534239367284076 (1.16532e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.534239367267453 (3.66594e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.53423936726149 (1.31516e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.534239367259119 (5.23006e-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: 0.095123291015625 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.62140499236056 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347471986 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696469292 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813616125 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375084 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207514 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312677 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687505 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209914 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307773 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156617 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851984 (8.68475e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.607274338045175 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828301 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.607273491056451 (4.24919e-06% change) linmin: converged after 27 iterations. iteration 16: trace = 4.607273423326224 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454783 (5.8324e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999416 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222213 (2.33917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.607273363837909 (2.03685e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.607273356409589 (1.6123e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.607273352713706 (8.02185e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035124 (3.64333e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.607273350488977 (1.1854e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.607273350318335 (3.70376e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261741 (1.22836e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.78101e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217992 (3.71463e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.60727335020926 (1.8952e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.607273350205851 (7.3988e-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: 0.1051945686340332 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286199994 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559271376 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826102063 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938258768 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777788 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657411795586118 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536611 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992657 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.65514846892051 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042657 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.65466529695931 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969561 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102693 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988872 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756919 (2.36376e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 4.654584007912178 (8.2466e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 4.654583872099873 (2.91782e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003333 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952179 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788808 (3.90225e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229737 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.65458375413065 (8.80656e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195744 (4.15699e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.654583750968559 (2.63651e-08% change) linmin: converged after 23 iterations. iteration 25: trace = 4.654583749955047 (2.17745e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.654583749144852 (1.74064e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 4.654583748504241 (1.3763e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.654583748161549 (7.36245e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.654583748037946 (2.65552e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.654583747984042 (1.15807e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 4.654583747952655 (6.74332e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 4.654583747932773 (4.27146e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63043e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 4.654583747914254 (1.34832e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 4.654583747911477 (5.96497e-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: 0.12237954139709473 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594805 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794314987 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612483 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655317 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186978972 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112027 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920406 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553676 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529449 (3.44832e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.657802747123332 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154885 (3.5203e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 4.657802512506884 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.657802482770965 (6.38411e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850075 (4.92097e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.657802440944291 (4.05895e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135108 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141324 (2.36029e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226848 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927233 (4.93712e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.65780240438896 (3.30257e-08% change) linmin: converged after 17 iterations. iteration 22: trace = 4.657802403523625 (1.85782e-08% change) linmin: converged after 9 iterations. iteration 23: trace = 4.657802403119733 (8.6713e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 4.657802402939375 (3.87219e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 4.657802402884992 (1.16755e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.657802402867801 (3.69092e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.657802402862909 (1.0503e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96898e-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: 0.09923505783081055 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728067781 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935696863 (0.0539828% change) linmin: converged after 6 iterations. iteration 3: trace = 4.668592631124202 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611687 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138847 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918369823 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297308879 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.66710588950992 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686737 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975174 (4.06615e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.667096867241803 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921188 (6.4777e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.667096423536345 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918459 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252444997 (1.91711e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.667096174501559 (1.67006e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228559 (9.91473e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109588011 (3.99404e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.667096103668016 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434464 (4.78574e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.667096100309835 (2.4097e-08% change) linmin: converged after 21 iterations. iteration 22: trace = 4.667096099663391 (1.38511e-08% change) linmin: converged after 23 iterations. iteration 23: trace = 4.667096099284757 (8.11284e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.667096099089912 (4.17487e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.667096099007758 (1.76028e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 4.667096098964763 (9.21235e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.667096098939575 (5.39709e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919739 (4.25011e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.667096098902278 (3.74123e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892165 (2.16702e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.667096098888666 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.1087648868560791 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.68724409303374 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.684501121648906 (0.058537% change) linmin: converged after 5 iterations. iteration 3: trace = 4.68286993057846 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068317714 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640009308 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106921903 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472565953 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725628 (0.000171497% change) linmin: converged after 5 iterations. iteration 9: trace = 4.681618077223676 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737997818 (2.86061e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.681615858546149 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378741 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362249 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039711974 (3.30335e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.681614869241988 (3.64126e-06% change) linmin: converged after 16 iterations. iteration 16: trace = 4.68161472623034 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 4.681614620951711 (2.01837e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 4.68161461585685 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123162 (7.97521e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813802 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.681614605684866 (1.98441e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.68161460528561 (8.52816e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099326 (3.97905e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.681614605024981 (1.58802e-09% change) linmin: converged after 6 iterations. iteration 28: trace = 4.681614605000403 (5.24983e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.681614604988978 (2.44051e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 4.681614604983466 (1.17738e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 4.681614604980838 (5.6137e-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: 0.10877227783203125 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233681 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398481 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.70107086068539 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701948 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544948 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100516 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.6999786169586 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548884 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.69996900063083 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929755 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319406983 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426728 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699679 (1.78028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 4.69996256078505 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691017 (1.54915e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 4.699961225600784 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583672 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235763 (3.60318e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.699960644725965 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.69996059288988 (1.1029e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 4.699960564066774 (6.13263e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 4.699960551853533 (2.59858e-07% change) linmin: converged after 10 iterations. iteration 23: trace = 4.699960547235491 (9.82571e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971041 (2.69034e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.699960545396203 (1.22307e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 4.699960545062297 (7.10443e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.699960544894044 (3.5799e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.699960544831159 (1.33799e-09% change) linmin: converged after 11 iterations. iteration 29: trace = 4.6999605448051 (5.54455e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792849 (2.60654e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.69996054478645 (1.36157e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.699960544782284 (8.86296e-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: 0.11229658126831055 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835507106 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797494394 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191088676 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.72032520151121 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799315 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630348262 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321786709 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657791618 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.719807413356836 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508683381 (0.000358165% change) linmin: converged after 4 iterations. iteration 11: trace = 4.719779814606182 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348474473 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280309288 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 4 iterations. iteration 14: trace = 4.719718876296148 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 5 iterations. iteration 15: trace = 4.719637476239784 (0.0017247% change) linmin: converged after 7 iterations. iteration 16: trace = 4.719538716018542 (0.00209256% change) linmin: converged after 5 iterations. iteration 17: trace = 4.719446199526267 (0.00196031% change) linmin: converged after 4 iterations. iteration 18: trace = 4.719342067175936 (0.00220648% change) linmin: converged after 5 iterations. iteration 19: trace = 4.719250145666872 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779904011 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996965549 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491797681 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509310166 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458937846 (4.34477e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.719165917312573 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.719165107645351 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862214882 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785195874 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.71916476092593 (5.14285e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750431715 (2.22374e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.719164743984006 (1.36628e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 4.71916473800363 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732535607 (1.15868e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729193626 (7.08172e-08% change) linmin: converged after 18 iterations. iteration 35: trace = 4.719164727750008 (3.05905e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 4.719164727251828 (1.05565e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.71916472698585 (5.63611e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 4.719164726837913 (3.13483e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.719164726708856 (2.73474e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.71916472655026 (3.36068e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 4.719164726298359 (5.33782e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 4.7191647258533 (9.43089e-09% change) linmin: converged after 15 iterations. iteration 43: trace = 4.719164725066989 (1.66621e-08% change) linmin: converged after 4 iterations. iteration 44: trace = 4.719164723722607 (2.84877e-08% change) linmin: converged after 19 iterations. iteration 45: trace = 4.719164722419896 (2.76047e-08% change) linmin: converged after 6 iterations. iteration 46: trace = 4.719164721562548 (1.81674e-08% change) linmin: converged after 16 iterations. iteration 47: trace = 4.719164720988488 (1.21644e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 4.719164720623203 (7.74045e-09% change) linmin: converged after 19 iterations. iteration 49: trace = 4.719164720382039 (5.11032e-09% change) linmin: converged after 15 iterations. iteration 50: trace = 4.719164720281916 (2.12162e-09% change) linmin: converged after 14 iterations. iteration 51: trace = 4.719164720241514 (8.56133e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218772 (1.4044e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 4.719164720216029 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.18790841102600098 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380121553 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472685538 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041534262 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551867178 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764246738 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.654399336084339 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590782666 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455428814 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231529 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128197 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293227 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342827 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65395753485975 (1.59968e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 4.653957210162049 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852145 (3.96028e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.653956928560638 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769971 (1.13432e-06% change) linmin: converged after 32 iterations. iteration 18: trace = 4.653956841201482 (7.42776e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 4.653956819085463 (4.75209e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.65395680993505 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517475 (7.34337e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.653956805199018 (2.83298e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.653956804663047 (1.15164e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 4.653956804367977 (6.34021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.6539568041892 (3.8414e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.653956804095571 (2.0118e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 4.653956804061927 (7.22916e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.653956804052049 (2.12256e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.653956804049409 (5.67188e-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: 0.10213780403137207 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978573792 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.57524986061685 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615778968 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726264 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753043 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276756 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406289 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078057 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954827 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.565738200055284 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810886 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483533 (3.27061e-06% change) linmin: converged after 14 iterations. iteration 14: trace = 4.565737552537147 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290476 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646699 (7.9807e-08% change) linmin: converged after 20 iterations. iteration 17: trace = 4.565737534603478 (2.28489e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.565737534315073 (6.31672e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.565737534206799 (2.37145e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 4.565737534143935 (1.37687e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.565737534100022 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070944 (6.36876e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 4.565737534052837 (3.96591e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.565737534041937 (2.38729e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.565737534035818 (1.34032e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 4.565737534032805 (6.5985e-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: 0.09165811538696289 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892414 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737204 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.49666086179891 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235467 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031072 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640691 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672331 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.49530364914899 (0.000264621% change) linmin: converged after 5 iterations. iteration 9: trace = 4.495300564167793 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871558 (3.8549e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 4.495299593694353 (8.04778e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 4.495299585129779 (1.90523e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 4.495299582963899 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.495299582144044 (1.8238e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 4.495299581549301 (1.32303e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 4.495299580823794 (1.61393e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.495299579922002 (2.00608e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.495299579325446 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.4952995790655 (5.78263e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.495299578960947 (2.32583e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 4.49529957891384 (1.04792e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 4.495299578893932 (4.42854e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 4.495299578886664 (1.61679e-10% change) linmin: converged after 14 iterations. iteration 25: trace = 4.495299578884342 (5.1667e-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: 0.08813905715942383 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004791003 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880181 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093519 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439734 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137276 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332465 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597407 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672776 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002984 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667401 (9.49527e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.462570546979999 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814236 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886536 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202181 (6.65185e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.462569970590494 (2.37793e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.462569966989752 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422022 (5.75393e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.462569961021073 (7.62105e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 6 iterations. iteration 19: trace = 4.462569953904014 (1.59483e-07% change) linmin: converged after 9 iterations. iteration 20: trace = 4.46256994368323 (2.29034e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 4.462569934609512 (2.03329e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.462569927927922 (1.49725e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053909 (8.68113e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.462569921863484 (4.90844e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 4.462569921105946 (1.69754e-08% change) linmin: converged after 5 iterations. iteration 26: trace = 4.462569920846201 (5.82051e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 4.462569920755987 (2.02157e-09% change) linmin: converged after 12 iterations. iteration 28: trace = 4.462569920708031 (1.07463e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.462569920679469 (6.40036e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.462569920665278 (3.17988e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.4625699206614 (8.69157e-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: 0.10863852500915527 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47865855560369 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616061894 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409071 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144033 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383344 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908738621 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123136 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085369 (0.00257152% change) linmin: converged after 5 iterations. iteration 9: trace = 4.458596309902293 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755438463 (0.000191865% change) linmin: converged after 4 iterations. iteration 11: trace = 4.458585207924791 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490013294 (1.61018e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.458584277334562 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200805784 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120213 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.458584133462059 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789079 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093341 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108088935 (2.24385e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093759725 (3.21385e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 4.45858407013488 (5.29873e-07% change) large trace change predicted (1.49557e-06%) linmin: converged after 14 iterations. iteration 22: trace = 4.458584003453388 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777244318 (5.07356e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 24: trace = 4.458459758086347 (0.00278162% change) linmin: converged after 7 iterations. iteration 25: trace = 4.45845809310336 (3.73444e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.458456431314518 (3.72727e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 4.458454776753626 (3.71106e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 4.45845312970436 (3.69422e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458451488295024 (3.68157e-05% change) linmin: converged after 8 iterations. iteration 30: trace = 4.458449849512655 (3.67568e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.458448209807987 (3.67775e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.458446565441435 (3.6882e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 4.458444912674558 (3.70705e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443247872638 (3.73404e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 4.458441567558344 (3.76884e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.458439868437202 (3.81102e-05% change) linmin: converged after 8 iterations. iteration 37: trace = 4.458438147422839 (3.86013e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.458436401632463 (3.9157e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.458434628420673 (3.97721e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432825371669 (4.04413e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.458430990336213 (4.11588e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.458429121450739 (4.1918e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.458427217170018 (4.27119e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.45842527627803 (4.35331e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 4.458423297979061 (4.43722e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 4.45842128183593 (4.5221e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419227918975 (4.60683e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.458417136764045 (4.69035e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.458415009413182 (4.77154e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458412847426382 (4.84923e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.458410652879671 (4.92226e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.45840842834688 (4.98952e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.458406176863647 (5.04997e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.458403901873035 (5.1027e-05% change) linmin: converged after 18 iterations. iteration 55: trace = 4.45840160715417 (5.14695e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.45839929679653 (5.18203e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 4.45839697486293 (5.208e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 4.458394645649191 (5.22433e-05% change) linmin: converged after 12 iterations. iteration 59: trace = 4.458392313342166 (5.23127e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389981994917 (5.22912e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387655402004 (5.21846e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 4.458385337090715 (5.19989e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383030228237 (5.17421e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 4.458380737597496 (5.14229e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378461580468 (5.10503e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376204157597 (5.06333e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 4.458373966983598 (5.01791e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.45837175115985 (4.97003e-05% change) linmin: converged after 13 iterations. iteration 69: trace = 4.458369557643537 (4.92e-05% change) resetting CG direction... large trace change predicted (0.0705974%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218396810412 (0.0707047% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076270045077 (0.025639% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233400311123 (0.0189253% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750387012768 (0.0108469% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486228782018 (0.00593265% change) linmin: converged after 3 iterations. iteration 75: trace = 4.452381361974496 (0.00235527% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332149411394 (0.00110531% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312688637566 (0.000437093% change) linmin: converged after 3 iterations. iteration 78: trace = 4.45230071607409 (0.000268907% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288399612123 (0.000276632% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272809489926 (0.00035016% change) linmin: converged after 5 iterations. iteration 81: trace = 4.452249236224402 (0.000529467% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204263419688 (0.00101012% change) linmin: converged after 5 iterations. iteration 83: trace = 4.452119848004346 (0.00189605% change) linmin: converged after 23 iterations. iteration 84: trace = 4.452030544098405 (0.00200589% change) linmin: converged after 4 iterations. iteration 85: trace = 4.451975523041291 (0.00123587% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336662034 (0.000430964% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182938001 (0.000115763% change) linmin: converged after 5 iterations. iteration 88: trace = 4.451949926952263 (2.8212e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633719559 (6.58661e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555041382 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527225949 (6.24792e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 4.451949519990793 (1.62517e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 4.45194951832263 (3.74704e-08% change) linmin: converged after 23 iterations. iteration 94: trace = 4.451949517532587 (1.7746e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951702074 (1.14972e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 4.451949516566152 (1.0211e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516312337 (5.70122e-09% change) linmin: converged after 18 iterations. iteration 98: trace = 4.45194951618685 (2.8187e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516112386 (1.67262e-09% change) large trace change predicted (3.4224e-09%) linmin: converged after 4 iterations. iteration 100: trace = 4.451949515960023 (3.42238e-09% change) linmin: converged after 2 iterations. iteration 101: trace = 4.451949515673266 (6.44116e-09% change) linmin: converged after 8 iterations. iteration 102: trace = 4.451949515254093 (9.4155e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.451949514776699 (1.07233e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168536 (1.36606e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.45194951364144 (1.18397e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.451949513445264 (4.40653e-09% change) linmin: converged after 2 iterations. iteration 107: trace = 4.451949513374775 (1.58334e-09% change) linmin: converged after 7 iterations. iteration 108: trace = 4.451949513356686 (4.06308e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 4.451949513352735 (8.8739e-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: 0.2919602394104004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% total elapsed time for run: 2.052157402038574 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: 0.0025634765625 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 = 9.345806662498552 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776485 (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 4 iterations. iteration 8: trace = 2.86286374516217 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173163 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422817 (0.00113437% change) linmin: converged after 8 iterations. iteration 11: trace = 2.862646034309387 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116844171 (0.00272191% change) linmin: converged after 11 iterations. iteration 13: trace = 2.862522529156126 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.86250702305457 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862497024431528 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372896 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834261 (3.77133e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726045403 (4.88347e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.86249070824902 (6.2171e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490703921658 (1.51175e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442762 (1.21534e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490696942832 (1.22269e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617096 (8.12487e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490692196376 (8.45669e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490689635972 (8.94467e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 2.86249068881215 (2.87799e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 2.862490688657743 (5.39412e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 2.86249068863399 (8.29833e-10% change) linmin: converged after 23 iterations. iteration 29: trace = 2.862490688625448 (2.98382e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.862490688620295 (1.80025e-10% change) linmin: converged after 16 iterations. iteration 31: trace = 2.862490688618994 (4.54718e-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: 0.0847017765045166 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.8592665337501 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885410416 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720083909 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000263371 (0.0333328% change) linmin: converged after 4 iterations. iteration 5: trace = 2.836186496136361 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889968089 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.835329250902228 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260285 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412855 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980058 (4.44197e-05% change) linmin: converged after 22 iterations. iteration 11: trace = 2.83530137235452 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.83530133647686 (1.26539e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 2.835301332836324 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052827 (6.29032e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 2.835301329637789 (4.99079e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 2.835301328974367 (2.33986e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 2.835301328638412 (1.1849e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 2.835301328502628 (4.78904e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 2.835301328480652 (7.75092e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 2.835301328478703 (6.87286e-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: 0.07141828536987305 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.80104758343635 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378334312 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200921 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181834 (0.00566543% change) linmin: converged after 5 iterations. iteration 5: trace = 2.795670517948642 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105494 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060606 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521852 (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 = 2.795630872968438 (2.66134e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.795630871760076 (4.32232e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631213 (4.60942e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.795630871612962 (6.52847e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.795630871602818 (3.62848e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598377 (1.58883e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 2.795630871597669 (2.53209e-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: 0.05732870101928711 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.774998560215873 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227243 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795790379 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908647 (0.0039227% change) linmin: converged after 6 iterations. iteration 5: trace = 2.771573339861071 (0.00107274% change) linmin: converged after 5 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 3 iterations. iteration 7: trace = 2.771565848864934 (7.31123e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.771565436133741 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911645 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637119 (1.18147e-07% change) linmin: converged after 12 iterations. iteration 11: trace = 2.771565390406326 (8.32718e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.771565390385134 (7.6462e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.77156539038211 (1.09117e-10% change) linmin: converged after 12 iterations. iteration 14: trace = 2.771565390381667 (1.5959e-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: 0.05049848556518555 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897694166 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676430948 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76499079933343 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212312 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243694 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702719 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.76461744645962 (2.84757e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.764617148488825 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736613 (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 = 2.764617094122716 (6.65715e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69242e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.0470271110534668 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 4 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 7 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 16 iterations. iteration 8: trace = 2.765514678058571 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876088 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313922 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43614e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 2.765514654454888 (6.70095e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765514654390361 (2.33326e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376135 (5.14405e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.765514654374654 (5.35377e-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: 0.05391955375671387 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192894 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309126988 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 6 iterations. iteration 4: trace = 2.765669394833951 (0.00215489% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765658289765338 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76565667410184 (5.84188e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765656191162028 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.76565610867967 (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 = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432823 (4.01167e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370316 (2.26009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765656097345329 (9.03479e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.76565609734263 (9.75962e-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: 0.05035710334777832 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313225 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766538782497219 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 6 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889405 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279492 (2.41324e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.766440405119587 (3.00603e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.766440395785975 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560161 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54314e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061448 (2.59581e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.766440393054012 (2.68803e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.766440393053366 (2.33407e-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: 0.05389666557312012 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893329 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.769310080424471 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 5 iterations. iteration 4: trace = 2.768934648753338 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394422 (0.00089119% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76890656309235 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159754 (1.65023e-05% change) linmin: converged after 7 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550865 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.768905997652202 (3.68956e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400175 (4.52174e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267477 (4.79246e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251333 (5.83029e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.768905996249786 (5.58779e-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: 0.0537872314453125 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451391057 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098715778 (0.0384934% change) linmin: converged after 4 iterations. iteration 3: trace = 2.774640612551229 (0.00873899% change) linmin: converged after 7 iterations. iteration 4: trace = 2.774560995069022 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77453459325651 (0.000951572% change) linmin: converged after 4 iterations. iteration 6: trace = 2.774531225310032 (0.000121388% change) linmin: converged after 4 iterations. iteration 7: trace = 2.774530700766645 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359497456 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863122988 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 2.774529531015569 (1.06251e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 2.774529530846424 (6.09634e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97037e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826869 (1.07768e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 2.774529530826194 (2.4329e-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: 0.05725240707397461 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010559785 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864090243 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622950957 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529274127 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018962653 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.784775033133963 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.78476738704222 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863706734 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 5 iterations. iteration 9: trace = 2.784576806706474 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.78443456658295 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945208 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152168 (7.1462e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729957 (7.48534e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 2.784404151061408 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391646 (2.75454e-07% change) linmin: converged after 19 iterations. iteration 16: trace = 2.784404142114114 (4.58817e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807705 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512633 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 3 iterations. iteration 19: trace = 2.784404140423731 (3.91072e-08% change) linmin: converged after 29 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 28 iterations. iteration 22: trace = 2.784404132526767 (1.12989e-07% change) linmin: converged after 26 iterations. iteration 23: trace = 2.784404131138652 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765977 (1.33844e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704079 (2.22301e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699127 (1.77849e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.78440413069857 (2.00003e-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: 0.09547567367553711 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.772753997213508 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731172 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048711009 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316778 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.76627831243169 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766276055716656 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375524 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025947 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526928 (9.03388e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766275694283745 (8.791e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 2.766275694243466 (1.45605e-09% change) linmin: converged after 7 iterations. iteration 12: trace = 2.766275694206311 (1.34313e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188478 (6.44668e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 2.766275694185664 (1.01732e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 2.766275694185342 (1.16229e-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: 0.05379939079284668 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.771492865813062 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222254 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016951 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.765768964129088 (0.000556581% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476076 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509604 (1.26426e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765766575906304 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033982 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.76576657497265 (2.21753e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968935 (1.3433e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 2.765766574968628 (1.10791e-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: 0.047011375427246094 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.791470836862437 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099793 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033089986 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715415 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429705 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414128 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368144 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 2.786825446011257 (2.92234e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 2.786825446005847 (1.9414e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.786825446005419 (1.53616e-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: 0.047027587890625 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.83493324550536 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065325 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628173 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307016 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 6 iterations. iteration 6: trace = 2.829305726218515 (0.0013011% change) linmin: converged after 5 iterations. iteration 7: trace = 2.829276325559039 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342493 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813156 (2.19325e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.829270284334416 (1.81951e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 2.829270280435292 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036013 (1.41124e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 2.829270279947552 (3.12666e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913445 (1.2055e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 2.829270279899193 (5.03724e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.829270279889811 (3.31599e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885796 (1.4191e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.82927027988534 (1.612e-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: 0.0642242431640625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.88614168583594 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321681 (0.411006% change) linmin: converged after 8 iterations. iteration 3: trace = 2.867461048283277 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339330284 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526576075 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260461168 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.86298756916355 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.86277099830971 (0.00756479% change) linmin: converged after 5 iterations. iteration 9: trace = 2.862591893260045 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772323387 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519860812 (0.00130139% change) linmin: converged after 6 iterations. iteration 12: trace = 2.862492614383973 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238294 (5.19528e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 2.862490902676301 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354834 (1.8977e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 2.862490815153661 (1.15987e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 2.862490774134767 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516321 (9.29905e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725345 (7.26325e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.862490701040766 (8.97281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.862490690405861 (3.71526e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920468 (5.18916e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724709 (6.83876e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 2.862490688677528 (1.64826e-09% change) linmin: converged after 8 iterations. iteration 25: trace = 2.862490688650878 (9.31e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688640401 (3.66024e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 2.862490688636764 (1.2706e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 2.862490688630895 (2.05019e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 2.862490688622824 (2.81968e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 2.862490688619479 (1.16868e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.862490688618609 (3.03921e-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: 0.0843050479888916 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826863 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268188 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372994 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715007 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.692014574213478 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393071 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594095 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823448 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378436), 0.02272961238288739% Gap from band 2 (0.3985126081046681) to band 3 (0.4390817228448607), 9.68705571208962% Gap from band 3 (0.49288810189980536) to band 4 (0.4933684778826863), 0.09741399808696079% Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% total elapsed time for run: 0.9750716686248779 done /tmp/meepfwWQZ2/test_tri_holes-0: 3.03s /tmp/meepfwWQZ2/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: 0.001844167709350586 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 = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.0663747787475586 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.0650022029876709 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.05440831184387207 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.05096268653869629 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.047545433044433594 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-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: 0.04737544059753418 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.04394817352294922 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.04390978813171387 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.03705286979675293 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (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 = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.037030935287475586 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (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 = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.03352522850036621 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepfwWQZ2/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/meepfwWQZ2/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepfwWQZ2/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/meepfwWQZ2/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/meepfwWQZ2/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepfwWQZ2/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/meepfwWQZ2/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepfwWQZ2/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (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 = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70427e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.197854050309301 (1.33506e-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: 0.04053211212158203 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 6 iterations. iteration 5: trace = 4.283267824693607 (0.000317844% change) linmin: converged after 13 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834244 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102648 (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 = 4.283266489000648 (2.16055e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.28326648899116 (2.21523e-10% change) linmin: converged after 15 iterations. iteration 12: trace = 4.283266488990682 (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: 0.04413795471191406 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679059331 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164541 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426008 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814329 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016637 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711944 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698953 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309543 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561978 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546349 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545235 (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: 0.04738664627075195 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210122 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258204 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323309 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347478 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423106 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618736 (7.91742e-08% change) linmin: converged after 19 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75018e-09% change) linmin: converged after 19 iterations. iteration 16: trace = 4.534517622760763 (4.58611e-10% change) linmin: converged after 10 iterations. iteration 17: trace = 4.534517622757205 (7.84657e-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: 0.061501264572143555 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273765 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330484 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234657 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.57821177137969 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189917 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795438 (0.000327209% change) linmin: converged after 5 iterations. iteration 8: trace = 4.577895724955971 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564436 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524323 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981872 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560068 (9.65903e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91275e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.577894626586343 (2.1426e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.57789462657365 (2.77266e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572485 (2.54547e-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: 0.044567108154296875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 0.7834877967834473 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: 0.0017497539520263672 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 = 7.562476866233162 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283957 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309321 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004704995 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953052988 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911362792 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952679834 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566119 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085007066 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845126679 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896341 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733837875 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657411 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189158 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.207458642124069 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.20649696589854 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793259 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735027 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041645 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474106 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318169 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163239 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945468 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725798 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520901 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519168 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714793 (4.05264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205341359594264 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.205340285757587 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.205339401862772 (1.42441e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.205338538782246 (1.39087e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 6.205338005697968 (8.59074e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.20533779281334 (3.43067e-06% change) linmin: converged after 14 iterations. iteration 36: trace = 6.205337727927921 (1.04564e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700665202 (4.39343e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076977 (2.99552e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 6.205337670235849 (1.90822e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.20533766360399 (1.06873e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.205337659445417 (6.7016e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656271132 (5.11541e-08% change) linmin: converged after 4 iterations. iteration 43: trace = 6.205337653590746 (4.31948e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674759 (3.08764e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 6.205337650112281 (2.51796e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.205337648922284 (1.9177e-08% change) linmin: converged after 9 iterations. iteration 47: trace = 6.205337648157436 (1.23256e-08% change) linmin: converged after 18 iterations. iteration 48: trace = 6.20533764764661 (8.23204e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357124 (4.66512e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 6.20533764722022 (2.20623e-09% change) linmin: converged after 13 iterations. iteration 51: trace = 6.205337647170952 (7.9395e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 6.20533764715244 (2.98329e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143449 (1.44892e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136523 (1.11614e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.205337647130181 (1.0221e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 6.205337647125874 (6.94044e-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: 0.15082287788391113 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024412352 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659804193 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131797574 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705631005 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542372 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874141 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858596 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.070592820913717 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682351 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703737 (0.000472136% change) linmin: converged after 3 iterations. iteration 11: trace = 6.070466776951315 (0.000154811% change) linmin: converged after 3 iterations. iteration 12: trace = 6.070462362656822 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493464 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551033 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420175 (2.06131e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.070460137715081 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900742 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276799 (2.2443e-07% change) linmin: converged after 5 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.07046007986356 (1.15842e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.070460075401997 (7.34963e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.070460072809237 (4.27111e-08% change) linmin: converged after 10 iterations. iteration 23: trace = 6.070460071630654 (1.94151e-08% change) linmin: converged after 23 iterations. iteration 24: trace = 6.070460071141095 (8.0646e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 6.070460070886772 (4.18953e-09% change) linmin: converged after 18 iterations. iteration 26: trace = 6.070460070770764 (1.91102e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 6.070460070719212 (8.49236e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 6.070460070698456 (3.41915e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 6.070460070686254 (2.01003e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.070460070677973 (1.36406e-10% change) linmin: converged after 20 iterations. iteration 31: trace = 6.070460070673304 (7.6916e-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: 0.11031985282897949 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450099651 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164987615 (0.262374% change) linmin: converged after 4 iterations. iteration 3: trace = 5.859434248089517 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394584574 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107094 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447409 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142514 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979383 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313636 (0.000174901% change) linmin: converged after 6 iterations. iteration 10: trace = 5.85624293285546 (8.3184e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.856240727525813 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988355 (2.76208e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.856238145767135 (1.64649e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 5.856237866910497 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777123892 (1.53318e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 5.856237751867796 (4.31268e-07% change) linmin: converged after 10 iterations. iteration 17: trace = 5.856237743987695 (1.34559e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787464 (5.46465e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.85623773908993 (2.89868e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 5.856237737682886 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546369 (1.9407e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790062 (1.29146e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.856237735217729 (9.77305e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.8562377349484 (4.599e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.856237734795146 (2.61694e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.856237734734316 (1.03871e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.8562377347143 (3.41789e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707861 (1.09956e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706169 (2.88919e-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: 0.10287332534790039 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296896508 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917668216 (0.11105% change) linmin: converged after 4 iterations. iteration 3: trace = 5.680153605096928 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245556072 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.67938121002896 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397145543 (0.000753833% change) linmin: converged after 5 iterations. iteration 7: trace = 5.679327009081291 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501428527 (9.69773e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.67931869579583 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872701 (2.86465e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.679316526996146 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977444 (3.5571e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.679316236097751 (2.8645e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.679316231672794 (7.79136e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.679316229977095 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108177 (1.52997e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.679316228341653 (1.34968e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 5.679316227585914 (1.33069e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.679316226988041 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97507e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.67931622663782 (1.19154e-09% change) linmin: converged after 9 iterations. iteration 23: trace = 5.679316226609477 (4.99051e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.679316226600837 (1.52135e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.87306e-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: 0.0892629623413086 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.57218121352375 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925706007 (0.0642735% change) linmin: converged after 3 iterations. iteration 3: trace = 5.567657736853601 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135072 (0.00383592% change) linmin: converged after 5 iterations. iteration 5: trace = 5.567377620490181 (0.00119534% change) linmin: converged after 5 iterations. iteration 6: trace = 5.567363512847055 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913101 (6.29011e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567358378549432 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479857 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846616 (7.8607e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.567356991067827 (2.42088e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.567356957505876 (6.02835e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.567356948843496 (1.55592e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567356946798316 (3.67352e-08% change) linmin: converged after 22 iterations. iteration 15: trace = 5.567356946093135 (1.26664e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.20514e-09% change) linmin: converged after 25 iterations. iteration 17: trace = 5.567356945304207 (5.96546e-09% change) linmin: converged after 7 iterations. iteration 18: trace = 5.567356944950218 (6.35829e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567356944690507 (4.66488e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.567356944584951 (1.89599e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567356944550362 (6.21286e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567356944542213 (1.46372e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.56735694453921 (5.39382e-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: 0.08250546455383301 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106742345 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108995 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715393 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820871 (0.00226257% change) linmin: converged after 4 iterations. iteration 5: trace = 5.529282320152231 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469082 (0.000147391% change) linmin: converged after 9 iterations. iteration 7: trace = 5.529272236624188 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.52927160610899 (1.14032e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.529271436020514 (3.07615e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 5.529271373878376 (1.12388e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.529271337491402 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740964 (3.02941e-07% change) linmin: converged after 32 iterations. iteration 13: trace = 5.52927131554956 (9.38895e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.52927131449556 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233556 (4.73849e-09% change) linmin: converged after 17 iterations. iteration 16: trace = 5.529271314081585 (2.74848e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.529271313980218 (1.83328e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.529271313876949 (1.86769e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.529271313777745 (1.79416e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.529271313733425 (8.01554e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.529271313721345 (2.18476e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.07998895645141602 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517440993 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185464449 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.533288931112328 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711817137 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53234281599609 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53223657988553 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246417 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409585 (0.000349281% change) linmin: converged after 5 iterations. iteration 9: trace = 5.532156997902877 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963378 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741136 (9.49399e-06% change) linmin: converged after 19 iterations. iteration 12: trace = 5.532153673436563 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.532153624609109 (8.82612e-07% change) linmin: converged after 22 iterations. iteration 14: trace = 5.532153611036557 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469198 (6.44841e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.53215360667281 (1.43956e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.532153606425389 (4.47241e-09% change) linmin: converged after 8 iterations. iteration 18: trace = 5.532153606309882 (2.08793e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238234 (1.29511e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.532153606171855 (1.19987e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.532153606115742 (1.01431e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.532153606087498 (5.10544e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.532153606073366 (2.55449e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.532153606068913 (8.04829e-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: 0.08579850196838379 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467745 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135059004 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333685 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.53586963592839 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921418 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 5 iterations. iteration 9: trace = 5.534699673866186 (0.000173854% change) linmin: converged after 5 iterations. iteration 10: trace = 5.534696883149079 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656591 (1.05786e-05% change) linmin: converged after 14 iterations. iteration 12: trace = 5.534696086069424 (3.82292e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.53469602314202 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432271 (3.56113e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.534695997023228 (1.15798e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 5.534695995144553 (3.39436e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.534695994510908 (1.14486e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.534695994207878 (5.47511e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.5346959940304 (3.20664e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.534695993871268 (2.87518e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.534695993784571 (1.56643e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.534695993753228 (5.66299e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.534695993742769 (1.88975e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.534695993739172 (6.49922e-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: 0.08555936813354492 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339883141 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895849107 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673732058 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466592 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141156 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433182 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010774 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268946 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125399 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729437 (5.83375e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.52714047204988 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332192 (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 4 iterations. iteration 16: trace = 5.527140027391177 (6.10863e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.527140025708307 (3.04474e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.527140024739852 (1.75218e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.52714002424972 (8.86774e-09% change) linmin: converged after 20 iterations. iteration 20: trace = 5.527140024034409 (3.89551e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.527140023982141 (9.45668e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969882 (2.2179e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.52714002396694 (5.32379e-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: 0.08206963539123535 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858706062 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237674 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977724 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127324 (0.0137437% change) linmin: converged after 4 iterations. iteration 5: trace = 5.514757022135015 (0.00687383% change) linmin: converged after 9 iterations. iteration 6: trace = 5.514652113037966 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.51460223226159 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.51458988830778 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299526 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956625 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925806 (9.88345e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.514581551297036 (3.67442e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 5.514581501626852 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384372 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005886 (6.12646e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.514581486953491 (1.90839e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.514581486665213 (5.22756e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577285 (1.59446e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.514581486551827 (4.61646e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.514581486536881 (2.71032e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.514581486529239 (1.38576e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.514581486526155 (5.592e-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: 0.07862448692321777 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354884038 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342223 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143168 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 5 iterations. iteration 5: trace = 5.508737669131326 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257637 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.508654122067274 (0.000535832% change) linmin: converged after 5 iterations. iteration 8: trace = 5.508646692888515 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274298 (5.63226e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.508642644310974 (1.71723e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.508642365130625 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323832 (1.86628e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.508642237881131 (4.43716e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.508642233589994 (7.78983e-08% change) linmin: converged after 25 iterations. iteration 15: trace = 5.508642232550771 (1.88653e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.508642232232832 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.508642232157101 (1.37477e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.508642232135503 (3.92072e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.508642232131613 (7.06203e-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: 0.06855106353759766 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313168 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881727 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342748 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670689 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830649 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395581 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695417993 (0.000380238% change) linmin: converged after 4 iterations. iteration 9: trace = 5.538951634380074 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756816 (4.79987e-05% change) linmin: converged after 34 iterations. iteration 11: trace = 5.538948192460804 (1.41416e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.538947835307319 (6.44804e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.538947686577418 (2.68517e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538947636561977 (9.02977e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030194 (3.34572e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.538947613905393 (7.4469e-08% change) linmin: converged after 23 iterations. iteration 17: trace = 5.538947613187704 (1.29571e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.538947612989034 (3.58677e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.538947612948648 (7.29134e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937278 (2.05266e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538947612933672 (6.51027e-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: 0.07561516761779785 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200631501 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549628191 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479465311 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868754246 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497329 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264385 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.63693616636827 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755417 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414136 (0.000160804% change) linmin: converged after 6 iterations. iteration 10: trace = 5.636893338294109 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.636892881857397 (8.09731e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 5.636892759768442 (2.16589e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.636892722735079 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210956 (1.86701e-07% change) linmin: converged after 11 iterations. iteration 15: trace = 5.636892708239734 (7.04506e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.636892706830089 (2.50075e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.636892706179625 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778893 (7.10909e-09% change) linmin: converged after 25 iterations. iteration 19: trace = 5.636892705608977 (3.01435e-09% change) linmin: converged after 17 iterations. iteration 20: trace = 5.636892705551569 (1.01844e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.636892705530974 (3.65362e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.636892705526575 (7.80421e-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: 0.07890796661376953 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.81850397229077 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946629663 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955588935 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036810262 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684313883 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579567 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816898936 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546447 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771267 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624883 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317811 (9.46769e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876407 (6.21864e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.807437481552951 (3.4668e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.807436670284366 (1.39695e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.8074362899604 (6.54891e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.807436162892381 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334483 (6.29502e-07% change) linmin: converged after 10 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 5.807436113287418 (4.99442e-08% change) linmin: converged after 26 iterations. iteration 20: trace = 5.807436112416768 (1.4992e-08% change) linmin: converged after 20 iterations. iteration 21: trace = 5.807436112088622 (5.65045e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.807436111990087 (1.6967e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.80743611192849 (1.06067e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.807436111892699 (6.16295e-10% change) linmin: converged after 18 iterations. iteration 25: trace = 5.807436111861502 (5.3718e-10% change) linmin: converged after 12 iterations. iteration 26: trace = 5.807436111844974 (2.84603e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.807436111839936 (8.67618e-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: 0.09650325775146484 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406898 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.04721742344514 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353635004 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071556 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957797 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541616 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732497 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498213 (0.00324293% change) linmin: converged after 4 iterations. iteration 9: trace = 6.039366429150525 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543028 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154683 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291311 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215228 (0.000194101% change) linmin: converged after 3 iterations. iteration 14: trace = 6.039151356031253 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.03914929136149 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716702 (4.8458e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832842 (2.11758e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 6.039148806998378 (1.05701e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226737 (7.96694e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437228 (2.96318e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 6.039148747735011 (1.16277e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.039148746498665 (1.0021e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 6.039148745995296 (8.3351e-09% change) linmin: converged after 22 iterations. iteration 28: trace = 6.039148745700736 (4.87751e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 6.039148745569349 (2.17558e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510188 (9.79634e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.039148745490023 (3.33908e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.039148745478512 (4.55476e-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: 0.11697006225585938 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915282703 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546870506 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153904172 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635423668 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497514124 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175370947 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982920777 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637846104 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505965657 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423721 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116506 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.20538969590178 (0.000229755% change) linmin: converged after 7 iterations. iteration 13: trace = 6.205378818817865 (0.000175285% change) linmin: converged after 5 iterations. iteration 14: trace = 6.20536902289189 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408646 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260895072 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521570035 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171488 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.205340291030811 (4.98948e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895535662 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348829109 (8.81026e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122341 (5.05543e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843117912 (3.09418e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205337736263818 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834875 (8.77131e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438703 (3.77033e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 6.205337650174807 (1.33174e-07% change) linmin: converged after 14 iterations. iteration 28: trace = 6.205337648379766 (2.89274e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812921 (9.1348e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.205337647526122 (4.62181e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.20533764730531 (3.55842e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205337647187882 (1.89237e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139041 (7.87079e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.205337647127357 (1.88289e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 6.205337647122205 (8.30305e-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: 0.09481620788574219 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039021 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191518 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415254 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594292 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041982 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575196 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% total elapsed time for run: 1.4814260005950928 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/meepfwWQZ2/test_tri_rods-0: 2.28s /tmp/meepfwWQZ2/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: 0.0017206668853759766 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 = 13.46696798403985 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549298 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222883 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.66870088544199 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792535 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692758 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637917265 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295161925 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448378 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.578003942463452 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765434 (0.00162274% change) linmin: converged after 6 iterations. iteration 12: trace = 4.577907037545209 (0.000494028% change) linmin: converged after 5 iterations. iteration 13: trace = 4.577897255801765 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336243 (4.739e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894696365689 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935326 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221467 (1.68502e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.57789462756871 (3.6103e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.577894626939197 (1.37511e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.577894626693616 (5.3645e-09% change) linmin: converged after 15 iterations. iteration 21: trace = 4.577894626612534 (1.77116e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.577894626584479 (6.12834e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574802 (2.11398e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.06549477577209473 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720262 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580538 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889009 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259334 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078173 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887485 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199721 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444718 (2.94228e-05% change) linmin: converged after 14 iterations. iteration 9: trace = 4.546667093982197 (8.36794e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.546667026314714 (1.48829e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.546667010167351 (3.55147e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947772 (9.2806e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173658 (3.90201e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528522 (1.41892e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.546667003425869 (2.25776e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 4.54666700341108 (3.25273e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.546667003406387 (1.03202e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.06417989730834961 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501467132 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577209417 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513621942 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935472 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102539 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934252 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362192 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143078 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201279 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.45677179734536 (4.16427e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664022 (1.52877e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.456771796571509 (2.07578e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.45677179656453 (1.566e-10% change) linmin: converged after 10 iterations. iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.05379605293273926 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410638 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.36628268566883 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944968 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.3646267634637 (0.00735182% change) linmin: converged after 8 iterations. iteration 5: trace = 4.364572744594435 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346525 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740353 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126187 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500088 (1.05992e-07% change) linmin: converged after 16 iterations. iteration 10: trace = 4.364565233724118 (1.77789e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.364565233381509 (7.8498e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306729 (1.71333e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.364565233299629 (1.62676e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.05046558380126953 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604914 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984217 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865023 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804954 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722032 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.304069984297111 (3.09852e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.304069968915966 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945501 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779024 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479551 (6.95791e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440697 (9.02712e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.04699420928955078 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238569 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328378 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492505 (0.0123684% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024282 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458746 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.283477077810691 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330028 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633829 (3.18919e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283477065618206 (3.64749e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.283477065616429 (4.147e-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: 0.04692816734313965 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825642 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994833 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692772 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.26448873054892 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181725 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738402 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.04352283477783203 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565435 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204028 (0.01063% change) linmin: converged after 6 iterations. iteration 4: trace = 4.228604967100097 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343838 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507816 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484545 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361877 (3.09285e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.2285956522714 (2.13965e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264813 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.04347062110900879 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849336 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.19670478415921 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731932 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037075 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660904 (1.0875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 4.196577824465233 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831923 (6.2749e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.31571e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233545 (1.10167e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.03672599792480469 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862092 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735225 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677833 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 2 iterations. iteration 5: trace = 4.175651823639798 (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 = 4.175651761832766 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12888e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.03662848472595215 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974824 (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 = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651686 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612855 (9.31558e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.03319716453552246 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957315 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510745 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525584 (8.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415341 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317017 (2.34224e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309861 (1.70469e-10% change) linmin: converged after 8 iterations. iteration 11: trace = 4.1978540503093 (1.33506e-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: 0.040107011795043945 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338977 (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 = 4.283281438838008 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693609 (0.000317844% change) linmin: converged after 4 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 = 4.283266490102652 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283266488991159 (2.21481e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04344463348388672 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164765 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 5 iterations. iteration 5: trace = 4.410114427040232 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016638 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711942 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698954 (2.90272e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.410102277309537 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815383 (5.65555e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561979 (5.746e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.410102274546347 (3.54458e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545241 (2.50738e-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: 0.04685616493225098 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101568 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258571 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323366 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319917 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.53459599155331 (0.0146622% change) linmin: converged after 9 iterations. iteration 6: trace = 4.534531477384963 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244491 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738523 (5.16374e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393298 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423107 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208904 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618731 (7.91743e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781559 (2.75014e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.534517622760765 (4.58572e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757207 (7.84657e-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: 0.06072211265563965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082273709 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330472 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234653 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379689 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189914 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102072 (0.000900408% change) linmin: converged after 10 iterations. iteration 7: trace = 4.577900193795437 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57789572495597 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564435 (2.15468e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.577894647524322 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981874 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.57789462756006 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684429 (1.91274e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.577894626586341 (2.14266e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573655 (2.77111e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 4.577894626572484 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/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: 0.6768963913945492 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: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 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 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- Ran 47 tests in 237.490s FAILED (failures=4) elapsed time for k point: 0.044159650802612305 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585158 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443277 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639% Gap from band 3 (0.560560794779775) to band 4 (0.5932960873585158), 5.6740646236952275% Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% total elapsed time for run: 0.7588760852813721 done /tmp/meepfwWQZ2/test_triangular_lattice-0: 0.76s /tmp/meepfwWQZ2/test_update_band_range_data-0 ======================== /tmp/meepfwWQZ2/test_update_band_range_data-0: 0.00s Elapsed run time = 237.5158 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/x86_64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu && { 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/x86_64-linux-gnu && { 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/x86_64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /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/sh ../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/x86_64-linux-gnu' 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/x86_64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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/x86_64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu && { 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/x86_64-linux-gnu && { 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/x86_64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu' /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/sh ../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/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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: x86_64-linux-gnu-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/sh ../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/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/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: x86_64-linux-gnu-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/x86_64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/x86_64-linux-gnu/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: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyLong_AsDouble: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyExc_SyntaxError: it's probably a plugin dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_amd64.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_amd64.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_amd64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_amd64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_amd64.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: user script /srv/workspace/pbuilder/1509364/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/1509364/tmp/hooks/B01_cleanup finished 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/1509364 and its subdirectories I: Current time: Sun Sep 28 02:07:22 +14 2025 I: pbuilder-time-stamp: 1758974842