I: pbuilder: network access will be disabled during build I: Current time: Fri Nov 28 07:33:22 -12 2025 I: pbuilder-time-stamp: 1764358402 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: using eatmydata during job 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/6922/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=6 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='i386' IFS=' ' INVOCATION_ID='a4e1e0fb18a2434b90c1de96e703cf3e' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' LD_LIBRARY_PATH='/usr/lib/libeatmydata' LD_PRELOAD='libeatmydata.so' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='6922' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Rf6v9r2A/pbuilderrc_NIKw --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Rf6v9r2A/b1 --logfile b1/build.log meep_1.25.0-4.dsc' SUDO_GID='111' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' I: uname -a Linux infom08-i386 6.10.11+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.10.11-1~bpo12+1 (2024-10-03) 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/6922/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: i386 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 ... 19933 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-i686-linux-gnu{a} gfortran-i686-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libelf1t64{a} libevent-2.1-7t64{a} libexpat1{a} libexpat1-dev{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-mpich-103-1t64{a} libhwloc15{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} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmpich12{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnsl2{a} libopenjp2-7{a} libp11-kit-dev{a} libpipeline1{a} libpkgconf3{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libqhull-r8.0{a} libraqm0{a} libreadline-dev{a} libreadline8t64{a} 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} 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} libxrender1{a} libxslt1.1{a} libxss1{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} 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-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-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 libhwloc-plugins 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, 237 newly installed, 0 to remove and 0 not upgraded. Need to get 159 MB of archives. After unpacking 662 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main i386 libpython3.12-minimal i386 3.12.7-1 [813 kB] Get: 2 http://deb.debian.org/debian unstable/main i386 libexpat1 i386 2.6.3-1 [107 kB] Get: 3 http://deb.debian.org/debian unstable/main i386 python3.12-minimal i386 3.12.7-1 [2239 kB] Get: 4 http://deb.debian.org/debian unstable/main i386 python3-minimal i386 3.12.6-1 [26.7 kB] Get: 5 http://deb.debian.org/debian unstable/main i386 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main i386 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main i386 tzdata all 2024b-3 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main i386 libkrb5support0 i386 1.21.3-3 [34.9 kB] Get: 9 http://deb.debian.org/debian unstable/main i386 libcom-err2 i386 1.47.1-1 [23.1 kB] Get: 10 http://deb.debian.org/debian unstable/main i386 libk5crypto3 i386 1.21.3-3 [83.6 kB] Get: 11 http://deb.debian.org/debian unstable/main i386 libkeyutils1 i386 1.6.3-4 [9600 B] Get: 12 http://deb.debian.org/debian unstable/main i386 libkrb5-3 i386 1.21.3-3 [350 kB] Get: 13 http://deb.debian.org/debian unstable/main i386 libgssapi-krb5-2 i386 1.21.3-3 [146 kB] Get: 14 http://deb.debian.org/debian unstable/main i386 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main i386 libtirpc3t64 i386 1.3.4+ds-1.3 [90.2 kB] Get: 16 http://deb.debian.org/debian unstable/main i386 libnsl2 i386 1.3.0-3+b2 [42.4 kB] Get: 17 http://deb.debian.org/debian unstable/main i386 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian unstable/main i386 libreadline8t64 i386 8.2-5 [173 kB] Get: 19 http://deb.debian.org/debian unstable/main i386 libpython3.12-stdlib i386 3.12.7-1 [1966 kB] Get: 20 http://deb.debian.org/debian unstable/main i386 python3.12 i386 3.12.7-1 [671 kB] Get: 21 http://deb.debian.org/debian unstable/main i386 libpython3-stdlib i386 3.12.6-1 [9692 B] Get: 22 http://deb.debian.org/debian unstable/main i386 python3 i386 3.12.6-1 [27.8 kB] Get: 23 http://deb.debian.org/debian unstable/main i386 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian unstable/main i386 libmagic-mgc i386 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian unstable/main i386 libmagic1t64 i386 1:5.45-3 [114 kB] Get: 26 http://deb.debian.org/debian unstable/main i386 file i386 1:5.45-3 [42.9 kB] Get: 27 http://deb.debian.org/debian unstable/main i386 gettext-base i386 0.22.5-2 [201 kB] Get: 28 http://deb.debian.org/debian unstable/main i386 libuchardet0 i386 0.0.8-1+b1 [69.1 kB] Get: 29 http://deb.debian.org/debian unstable/main i386 groff-base i386 1.23.0-5 [1196 kB] Get: 30 http://deb.debian.org/debian unstable/main i386 bsdextrautils i386 2.40.2-9 [102 kB] Get: 31 http://deb.debian.org/debian unstable/main i386 libpipeline1 i386 1.5.8-1 [41.2 kB] Get: 32 http://deb.debian.org/debian unstable/main i386 man-db i386 2.13.0-1 [1428 kB] Get: 33 http://deb.debian.org/debian unstable/main i386 m4 i386 1.4.19-4 [293 kB] Get: 34 http://deb.debian.org/debian unstable/main i386 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian unstable/main i386 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian unstable/main i386 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian unstable/main i386 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian unstable/main i386 libtcl8.6 i386 8.6.15+dfsg-2 [1103 kB] Get: 39 http://deb.debian.org/debian unstable/main i386 libbrotli1 i386 1.1.0-2+b4 [309 kB] Get: 40 http://deb.debian.org/debian unstable/main i386 libpng16-16t64 i386 1.6.44-2 [288 kB] Get: 41 http://deb.debian.org/debian unstable/main i386 libfreetype6 i386 2.13.3+dfsg-1 [464 kB] Get: 42 http://deb.debian.org/debian unstable/main i386 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 43 http://deb.debian.org/debian unstable/main i386 fonts-dejavu-core all 2.37-8 [840 kB] Get: 44 http://deb.debian.org/debian unstable/main i386 fontconfig-config i386 2.15.0-1.1 [317 kB] Get: 45 http://deb.debian.org/debian unstable/main i386 libfontconfig1 i386 2.15.0-1.1 [401 kB] Get: 46 http://deb.debian.org/debian unstable/main i386 libxau6 i386 1:1.0.9-1+b1 [18.5 kB] Get: 47 http://deb.debian.org/debian unstable/main i386 libxdmcp6 i386 1:1.1.2-3+b1 [24.8 kB] Get: 48 http://deb.debian.org/debian unstable/main i386 libxcb1 i386 1.17.0-2 [148 kB] Get: 49 http://deb.debian.org/debian unstable/main i386 libx11-data all 2:1.8.7-1 [328 kB] Get: 50 http://deb.debian.org/debian unstable/main i386 libx11-6 i386 2:1.8.7-1+b1 [822 kB] Get: 51 http://deb.debian.org/debian unstable/main i386 libxrender1 i386 1:0.9.10-1.1+b1 [28.8 kB] Get: 52 http://deb.debian.org/debian unstable/main i386 libxft2 i386 2.3.6-1+b1 [55.3 kB] Get: 53 http://deb.debian.org/debian unstable/main i386 libxext6 i386 2:1.3.4-1+b2 [52.6 kB] Get: 54 http://deb.debian.org/debian unstable/main i386 x11-common all 1:7.7+23.1 [216 kB] Get: 55 http://deb.debian.org/debian unstable/main i386 libxss1 i386 1:1.2.3-1+b1 [17.3 kB] Get: 56 http://deb.debian.org/debian unstable/main i386 libtk8.6 i386 8.6.15-1 [833 kB] Get: 57 http://deb.debian.org/debian unstable/main i386 tk8.6-blt2.5 i386 2.5.3+dfsg-7 [616 kB] Get: 58 http://deb.debian.org/debian unstable/main i386 blt i386 2.5.3+dfsg-7 [6024 B] Get: 59 http://deb.debian.org/debian unstable/main i386 chrpath i386 0.16-2+b1 [17.5 kB] Get: 60 http://deb.debian.org/debian unstable/main i386 libdebhelper-perl all 13.20 [89.7 kB] Get: 61 http://deb.debian.org/debian unstable/main i386 libtool all 2.4.7-7 [517 kB] Get: 62 http://deb.debian.org/debian unstable/main i386 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian unstable/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian unstable/main i386 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 65 http://deb.debian.org/debian unstable/main i386 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 66 http://deb.debian.org/debian unstable/main i386 libelf1t64 i386 0.192-4 [195 kB] Get: 67 http://deb.debian.org/debian unstable/main i386 dwz i386 0.15-1+b1 [116 kB] Get: 68 http://deb.debian.org/debian unstable/main i386 libicu72 i386 72.1-5 [9550 kB] Get: 69 http://deb.debian.org/debian unstable/main i386 libxml2 i386 2.12.7+dfsg+really2.9.14-0.1 [733 kB] Get: 70 http://deb.debian.org/debian unstable/main i386 gettext i386 0.22.5-2 [1631 kB] Get: 71 http://deb.debian.org/debian unstable/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 72 http://deb.debian.org/debian unstable/main i386 po-debconf all 1.0.21+nmu1 [248 kB] Get: 73 http://deb.debian.org/debian unstable/main i386 debhelper all 13.20 [915 kB] Get: 74 http://deb.debian.org/debian unstable/main i386 diffstat i386 1.66-1 [34.7 kB] Get: 75 http://deb.debian.org/debian unstable/main i386 ed i386 1.20.2-2 [61.8 kB] Get: 76 http://deb.debian.org/debian unstable/main i386 fonts-lyx all 2.4.2.1-1 [190 kB] Get: 77 http://deb.debian.org/debian unstable/main i386 libgfortran5 i386 14.2.0-7 [735 kB] Get: 78 http://deb.debian.org/debian unstable/main i386 libgfortran-14-dev i386 14.2.0-7 [800 kB] Get: 79 http://deb.debian.org/debian unstable/main i386 gfortran-14-i686-linux-gnu i386 14.2.0-7 [12.5 MB] Get: 80 http://deb.debian.org/debian unstable/main i386 gfortran-14 i386 14.2.0-7 [11.9 kB] Get: 81 http://deb.debian.org/debian unstable/main i386 gfortran-i686-linux-gnu i386 4:14.2.0-1 [1280 B] Get: 82 http://deb.debian.org/debian unstable/main i386 gfortran i386 4:14.2.0-1 [1432 B] Get: 83 http://deb.debian.org/debian unstable/main i386 libgc1 i386 1:8.2.8-1 [248 kB] Get: 84 http://deb.debian.org/debian unstable/main i386 guile-3.0-libs i386 3.0.10+really3.0.9-1 [6490 kB] Get: 85 http://deb.debian.org/debian unstable/main i386 guile-3.0 i386 3.0.10+really3.0.9-1 [21.1 kB] Get: 86 http://deb.debian.org/debian unstable/main i386 libncurses6 i386 6.5-2 [111 kB] Get: 87 http://deb.debian.org/debian unstable/main i386 libncurses-dev i386 6.5-2 [380 kB] Get: 88 http://deb.debian.org/debian unstable/main i386 libreadline-dev i386 8.2-5 [166 kB] Get: 89 http://deb.debian.org/debian unstable/main i386 libltdl7 i386 2.4.7-7+b1 [395 kB] Get: 90 http://deb.debian.org/debian unstable/main i386 libltdl-dev i386 2.4.7-7+b1 [167 kB] Get: 91 http://deb.debian.org/debian unstable/main i386 libgmpxx4ldbl i386 2:6.3.0+dfsg-2+b1 [330 kB] Get: 92 http://deb.debian.org/debian unstable/main i386 libgmp-dev i386 2:6.3.0+dfsg-2+b1 [659 kB] Get: 93 http://deb.debian.org/debian unstable/main i386 libgc-dev i386 1:8.2.8-1 [423 kB] Get: 94 http://deb.debian.org/debian unstable/main i386 libpkgconf3 i386 1.8.1-4 [38.4 kB] Get: 95 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-4 [30.6 kB] Get: 96 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-4 [26.2 kB] Get: 97 http://deb.debian.org/debian unstable/main i386 guile-3.0-dev i386 3.0.10+really3.0.9-1 [149 kB] Get: 98 http://deb.debian.org/debian unstable/main i386 hdf5-helpers i386 1.10.10+repack-4 [23.5 kB] Get: 99 http://deb.debian.org/debian unstable/main i386 libaec0 i386 1.1.3-1 [24.5 kB] Get: 100 http://deb.debian.org/debian unstable/main i386 libsz2 i386 1.1.3-1 [7824 B] Get: 101 http://deb.debian.org/debian unstable/main i386 libaec-dev i386 1.1.3-1 [22.4 kB] Get: 102 http://deb.debian.org/debian unstable/main i386 libblas3 i386 3.12.0-3 [140 kB] Get: 103 http://deb.debian.org/debian unstable/main i386 libblas-dev i386 3.12.0-3 [152 kB] Get: 104 http://deb.debian.org/debian unstable/main i386 libbrotli-dev i386 1.1.0-2+b4 [313 kB] Get: 105 http://deb.debian.org/debian unstable/main i386 libctl7t64 i386 4.5.1-3 [115 kB] Get: 106 http://deb.debian.org/debian unstable/main i386 libctl-dev i386 4.5.1-3 [109 kB] Get: 107 http://deb.debian.org/debian unstable/main i386 libsasl2-modules-db i386 2.1.28+dfsg1-8 [20.6 kB] Get: 108 http://deb.debian.org/debian unstable/main i386 libsasl2-2 i386 2.1.28+dfsg1-8 [61.0 kB] Get: 109 http://deb.debian.org/debian unstable/main i386 libldap-2.5-0 i386 2.5.18+dfsg-3+b1 [200 kB] Get: 110 http://deb.debian.org/debian unstable/main i386 libnghttp2-14 i386 1.63.0-1 [82.7 kB] Get: 111 http://deb.debian.org/debian unstable/main i386 libpsl5t64 i386 0.21.2-1.1 [57.4 kB] Get: 112 http://deb.debian.org/debian unstable/main i386 librtmp1 i386 2.4+20151223.gitfa8646d.1-2+b4 [62.0 kB] Get: 113 http://deb.debian.org/debian unstable/main i386 libssh2-1t64 i386 1.11.1-1 [256 kB] Get: 114 http://deb.debian.org/debian unstable/main i386 libcurl4t64 i386 8.10.1-2 [391 kB] Get: 115 http://deb.debian.org/debian unstable/main i386 libidn2-dev i386 2.3.7-2 [125 kB] Get: 116 http://deb.debian.org/debian unstable/main i386 libnghttp2-dev i386 1.63.0-1 [123 kB] Get: 117 http://deb.debian.org/debian unstable/main i386 libpsl-dev i386 0.21.2-1.1 [78.2 kB] Get: 118 http://deb.debian.org/debian unstable/main i386 libevent-2.1-7t64 i386 2.1.12-stable-10 [194 kB] Get: 119 http://deb.debian.org/debian unstable/main i386 libunbound8 i386 1.22.0-1 [632 kB] Get: 120 http://deb.debian.org/debian unstable/main i386 libgnutls-dane0t64 i386 3.8.6-2 [439 kB] Get: 121 http://deb.debian.org/debian unstable/main i386 libgnutls-openssl27t64 i386 3.8.6-2 [439 kB] Get: 122 http://deb.debian.org/debian unstable/main i386 libp11-kit-dev i386 0.25.5-2 [208 kB] Get: 123 http://deb.debian.org/debian unstable/main i386 libtasn1-6-dev i386 4.19.0-3+b2 [101 kB] Get: 124 http://deb.debian.org/debian unstable/main i386 nettle-dev i386 3.10-1 [1333 kB] Get: 125 http://deb.debian.org/debian unstable/main i386 libgnutls28-dev i386 3.8.6-2 [1444 kB] Get: 126 http://deb.debian.org/debian unstable/main i386 zlib1g-dev i386 1:1.3.dfsg+really1.3.1-1 [915 kB] Get: 127 http://deb.debian.org/debian unstable/main i386 librtmp-dev i386 2.4+20151223.gitfa8646d.1-2+b4 [72.1 kB] Get: 128 http://deb.debian.org/debian unstable/main i386 libssl-dev i386 3.3.2-1 [2790 kB] Get: 129 http://deb.debian.org/debian unstable/main i386 libssh2-1-dev i386 1.11.1-1 [407 kB] Get: 130 http://deb.debian.org/debian unstable/main i386 libzstd-dev i386 1.5.6+dfsg-1 [352 kB] Get: 131 http://deb.debian.org/debian unstable/main i386 libcurl4-openssl-dev i386 8.10.1-2 [519 kB] Get: 132 http://deb.debian.org/debian unstable/main i386 libdeflate0 i386 1.22-1 [48.1 kB] Get: 133 http://deb.debian.org/debian unstable/main i386 libexpat1-dev i386 2.6.3-1 [164 kB] Get: 134 http://deb.debian.org/debian unstable/main i386 libfftw3-double3 i386 3.3.10-1+b3 [635 kB] Get: 135 http://deb.debian.org/debian unstable/main i386 libfftw3-long3 i386 3.3.10-1+b3 [340 kB] Get: 136 http://deb.debian.org/debian unstable/main i386 libfftw3-quad3 i386 3.3.10-1+b3 [1798 kB] Get: 137 http://deb.debian.org/debian unstable/main i386 libfftw3-single3 i386 3.3.10-1+b3 [643 kB] Get: 138 http://deb.debian.org/debian unstable/main i386 libfftw3-bin i386 3.3.10-1+b3 [49.8 kB] Get: 139 http://deb.debian.org/debian unstable/main i386 libfftw3-dev i386 3.3.10-1+b3 [3199 kB] Get: 140 http://deb.debian.org/debian unstable/main i386 libfribidi0 i386 1.0.15-1 [72.4 kB] Get: 141 http://deb.debian.org/debian unstable/main i386 libgdsii0 i386 0.2+ds.1-1+b1 [33.9 kB] Get: 142 http://deb.debian.org/debian unstable/main i386 libgdsii-dev i386 0.2+ds.1-1+b1 [38.3 kB] Get: 143 http://deb.debian.org/debian unstable/main i386 libglib2.0-0t64 i386 2.82.2-1 [1572 kB] Get: 144 http://deb.debian.org/debian unstable/main i386 libgraphite2-3 i386 1.3.14-2 [77.7 kB] Get: 145 http://deb.debian.org/debian unstable/main i386 libgslcblas0 i386 2.8+dfsg-3 [106 kB] Get: 146 http://deb.debian.org/debian unstable/main i386 libgsl28 i386 2.8+dfsg-3 [978 kB] Get: 147 http://deb.debian.org/debian unstable/main i386 libgsl-dev i386 2.8+dfsg-3 [1240 kB] Get: 148 http://deb.debian.org/debian unstable/main i386 libharfbuzz0b i386 10.0.1-1 [503 kB] Get: 149 http://deb.debian.org/debian unstable/main i386 liblapack3 i386 3.12.0-3 [2167 kB] Get: 150 http://deb.debian.org/debian unstable/main i386 libharminv3 i386 1.4.2-1 [17.7 kB] Get: 151 http://deb.debian.org/debian unstable/main i386 libharminv-dev i386 1.4.2-1 [15.9 kB] Get: 152 http://deb.debian.org/debian unstable/main i386 libhdf5-103-1t64 i386 1.10.10+repack-4 [1186 kB] Get: 153 http://deb.debian.org/debian unstable/main i386 libhdf5-cpp-103-1t64 i386 1.10.10+repack-4 [137 kB] Get: 154 http://deb.debian.org/debian unstable/main i386 libhdf5-fortran-102t64 i386 1.10.10+repack-4 [98.1 kB] Get: 155 http://deb.debian.org/debian unstable/main i386 libhdf5-hl-100t64 i386 1.10.10+repack-4 [76.0 kB] Get: 156 http://deb.debian.org/debian unstable/main i386 libhdf5-hl-fortran-100t64 i386 1.10.10+repack-4 [41.9 kB] Get: 157 http://deb.debian.org/debian unstable/main i386 libhdf5-hl-cpp-100t64 i386 1.10.10+repack-4 [21.9 kB] Get: 158 http://deb.debian.org/debian unstable/main i386 libjpeg62-turbo i386 1:2.1.5-3 [169 kB] Get: 159 http://deb.debian.org/debian unstable/main i386 libjpeg62-turbo-dev i386 1:2.1.5-3 [303 kB] Get: 160 http://deb.debian.org/debian unstable/main i386 libjpeg-dev i386 1:2.1.5-3 [71.9 kB] Get: 161 http://deb.debian.org/debian unstable/main i386 libhdf5-dev i386 1.10.10+repack-4 [2783 kB] Get: 162 http://deb.debian.org/debian unstable/main i386 libhwloc15 i386 2.11.2-1 [177 kB] Get: 163 http://deb.debian.org/debian unstable/main i386 libmpich12 i386 4.2.0-14 [1518 kB] Get: 164 http://deb.debian.org/debian unstable/main i386 libhdf5-mpich-103-1t64 i386 1.10.10+repack-4 [1241 kB] Get: 165 http://deb.debian.org/debian unstable/main i386 libimagequant0 i386 2.18.0-1+b1 [35.9 kB] Get: 166 http://deb.debian.org/debian unstable/main i386 libjbig0 i386 2.1-6.1+b1 [31.8 kB] Get: 167 http://deb.debian.org/debian unstable/main i386 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 168 http://deb.debian.org/debian unstable/main i386 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 169 http://deb.debian.org/debian unstable/main i386 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 170 http://deb.debian.org/debian unstable/main i386 libjs-sphinxdoc all 7.4.7-4 [158 kB] Get: 171 http://deb.debian.org/debian unstable/main i386 liblapack-dev i386 3.12.0-3 [4400 kB] Get: 172 http://deb.debian.org/debian unstable/main i386 liblbfgsb0 i386 3.0+dfsg.4-1+b1 [29.1 kB] Get: 173 http://deb.debian.org/debian unstable/main i386 liblcms2-2 i386 2.16-2 [171 kB] Get: 174 http://deb.debian.org/debian unstable/main i386 liblerc4 i386 4.0.0+ds-4+b1 [180 kB] Get: 175 http://deb.debian.org/debian unstable/main i386 liblzf1 i386 3.6-4+b1 [10.1 kB] Get: 176 http://deb.debian.org/debian unstable/main i386 libopenjp2-7 i386 2.5.0-2+b3 [197 kB] Get: 177 http://deb.debian.org/debian unstable/main i386 libpython3.12t64 i386 3.12.7-1 [2169 kB] Get: 178 http://deb.debian.org/debian unstable/main i386 libpython3.12-dev i386 3.12.7-1 [5285 kB] Get: 179 http://deb.debian.org/debian unstable/main i386 libpython3-dev i386 3.12.6-1 [9956 B] Get: 180 http://deb.debian.org/debian unstable/main i386 libqhull-r8.0 i386 2020.2-6+b1 [256 kB] Get: 181 http://deb.debian.org/debian unstable/main i386 libraqm0 i386 0.10.1-1+b1 [14.7 kB] Get: 182 http://deb.debian.org/debian unstable/main i386 libsharpyuv0 i386 1.4.0-0.1 [113 kB] Get: 183 http://deb.debian.org/debian unstable/main i386 libwebp7 i386 1.4.0-0.1 [318 kB] Get: 184 http://deb.debian.org/debian unstable/main i386 libtiff6 i386 4.5.1+git230720-5 [339 kB] Get: 185 http://deb.debian.org/debian unstable/main i386 libwebpdemux2 i386 1.4.0-0.1 [111 kB] Get: 186 http://deb.debian.org/debian unstable/main i386 libwebpmux3 i386 1.4.0-0.1 [125 kB] Get: 187 http://deb.debian.org/debian unstable/main i386 libxslt1.1 i386 1.1.35-1.1 [242 kB] Get: 188 http://deb.debian.org/debian unstable/main i386 mpb-scm all 1.11.1-6 [12.0 kB] Get: 189 http://deb.debian.org/debian unstable/main i386 mpb i386 1.11.1-6 [231 kB] Get: 190 http://deb.debian.org/debian unstable/main i386 mpb-dev i386 1.11.1-6 [8152 B] Get: 191 http://deb.debian.org/debian unstable/main i386 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 192 http://deb.debian.org/debian unstable/main i386 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 193 http://deb.debian.org/debian unstable/main i386 python3-attr all 24.2.0-1 [68.4 kB] Get: 194 http://deb.debian.org/debian unstable/main i386 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 195 http://deb.debian.org/debian unstable/main i386 python3-brotli i386 1.1.0-2+b4 [315 kB] Get: 196 http://deb.debian.org/debian unstable/main i386 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 197 http://deb.debian.org/debian unstable/main i386 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 198 http://deb.debian.org/debian unstable/main i386 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 199 http://deb.debian.org/debian unstable/main i386 python3-inflect all 7.3.1-2 [32.4 kB] Get: 200 http://deb.debian.org/debian unstable/main i386 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 201 http://deb.debian.org/debian unstable/main i386 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 202 http://deb.debian.org/debian unstable/main i386 python3-pkg-resources all 75.2.0-1 [213 kB] Get: 203 http://deb.debian.org/debian unstable/main i386 python3-numpy i386 1:1.26.4+ds-11 [4299 kB] Get: 204 http://deb.debian.org/debian unstable/main i386 python3-contourpy i386 1.3.0-2 [223 kB] Get: 205 http://deb.debian.org/debian unstable/main i386 python3-cycler all 0.12.1-1 [9496 B] Get: 206 http://deb.debian.org/debian unstable/main i386 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 207 http://deb.debian.org/debian unstable/main i386 python3-decorator all 5.1.1-5 [15.1 kB] Get: 208 http://deb.debian.org/debian unstable/main i386 python3.12-dev i386 3.12.7-1 [505 kB] Get: 209 http://deb.debian.org/debian unstable/main i386 python3-dev i386 3.12.6-1 [26.1 kB] Get: 210 http://deb.debian.org/debian unstable/main i386 python3-tz all 2024.1-2 [30.9 kB] Get: 211 http://deb.debian.org/debian unstable/main i386 python3-six all 1.16.0-7 [16.4 kB] Get: 212 http://deb.debian.org/debian unstable/main i386 python3-fs all 2.4.16-4 [95.4 kB] Get: 213 http://deb.debian.org/debian unstable/main i386 python3-lxml i386 5.3.0-1 [1239 kB] Get: 214 http://deb.debian.org/debian unstable/main i386 python3-lz4 i386 4.0.2+dfsg-1+b4 [25.2 kB] Get: 215 http://deb.debian.org/debian unstable/main i386 python3-scipy i386 1.13.1-5 [16.6 MB] Get: 216 http://deb.debian.org/debian unstable/main i386 python3-mpmath all 1.3.0-1 [419 kB] Get: 217 http://deb.debian.org/debian unstable/main i386 python3-sympy all 1.13.3-1 [4147 kB] Get: 218 http://deb.debian.org/debian unstable/main i386 python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 219 http://deb.debian.org/debian unstable/main i386 python3-unicodedata2 i386 15.1.0+ds-1+b2 [297 kB] Get: 220 http://deb.debian.org/debian unstable/main i386 unicode-data all 15.1.0-1 [8547 kB] Get: 221 http://deb.debian.org/debian unstable/main i386 python3-fonttools i386 4.54.1-4 [1424 kB] Get: 222 http://deb.debian.org/debian unstable/main i386 python3-h5py-serial i386 3.11.0-7 [999 kB] Get: 223 http://deb.debian.org/debian unstable/main i386 python3-h5py all 3.11.0-7 [14.8 kB] Get: 224 http://deb.debian.org/debian unstable/main i386 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 225 http://deb.debian.org/debian unstable/main i386 python3-kiwisolver i386 1.4.7-2 [68.6 kB] Get: 226 http://deb.debian.org/debian unstable/main i386 python3-pil i386 10.4.0-1 [503 kB] Get: 227 http://deb.debian.org/debian unstable/main i386 python3.12-tk i386 3.12.7-1 [113 kB] Get: 228 http://deb.debian.org/debian unstable/main i386 python3.13-tk i386 3.13.0-1 [103 kB] Get: 229 http://deb.debian.org/debian unstable/main i386 python3-tk i386 3.12.6-1 [9428 B] Get: 230 http://deb.debian.org/debian unstable/main i386 python3-pil.imagetk i386 10.4.0-1 [79.6 kB] Get: 231 http://deb.debian.org/debian unstable/main i386 python3-pyparsing all 3.1.2-1 [146 kB] Get: 232 http://deb.debian.org/debian unstable/main i386 python3-packaging all 24.1-1 [45.8 kB] Get: 233 http://deb.debian.org/debian unstable/main i386 python3-matplotlib i386 3.8.3-3 [5569 kB] Get: 234 http://deb.debian.org/debian unstable/main i386 python3-zipp all 3.20.2-1 [10.3 kB] Get: 235 http://deb.debian.org/debian unstable/main i386 python3-setuptools all 75.2.0-1 [731 kB] Get: 236 http://deb.debian.org/debian unstable/main i386 quilt all 0.68-1 [437 kB] Get: 237 http://deb.debian.org/debian unstable/main i386 swig i386 4.2.1-1 [1499 kB] Fetched 159 MB in 6s (27.4 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:i386. (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 ... 19933 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.7-1_i386.deb ... Unpacking libpython3.12-minimal:i386 (3.12.7-1) ... Selecting previously unselected package libexpat1:i386. Preparing to unpack .../libexpat1_2.6.3-1_i386.deb ... Unpacking libexpat1:i386 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.7-1_i386.deb ... Unpacking python3.12-minimal (3.12.7-1) ... Setting up libpython3.12-minimal:i386 (3.12.7-1) ... Setting up libexpat1:i386 (2.6.3-1) ... Setting up python3.12-minimal (3.12.7-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20253 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.6-1_i386.deb ... Unpacking python3-minimal (3.12.6-1) ... 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_2024b-3_all.deb ... Unpacking tzdata (2024b-3) ... Selecting previously unselected package libkrb5support0:i386. Preparing to unpack .../04-libkrb5support0_1.21.3-3_i386.deb ... Unpacking libkrb5support0:i386 (1.21.3-3) ... Selecting previously unselected package libcom-err2:i386. Preparing to unpack .../05-libcom-err2_1.47.1-1_i386.deb ... Unpacking libcom-err2:i386 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:i386. Preparing to unpack .../06-libk5crypto3_1.21.3-3_i386.deb ... Unpacking libk5crypto3:i386 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:i386. Preparing to unpack .../07-libkeyutils1_1.6.3-4_i386.deb ... Unpacking libkeyutils1:i386 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:i386. Preparing to unpack .../08-libkrb5-3_1.21.3-3_i386.deb ... Unpacking libkrb5-3:i386 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:i386. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_i386.deb ... Unpacking libgssapi-krb5-2:i386 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:i386. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_i386.deb ... 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Setting up libxdmcp6:i386 (1:1.1.2-3+b1) ... Setting up libkeyutils1:i386 (1.6.3-4) ... Setting up libxcb1:i386 (1.17.0-2) ... Setting up mpb-scm (1.11.1-6) ... Setting up libfftw3-single3:i386 (3.3.10-1+b3) ... Setting up swig (4.2.1-1) ... Setting up libicu72:i386 (72.1-5) ... Setting up libzstd-dev:i386 (1.5.6+dfsg-1) ... Setting up liblerc4:i386 (4.0.0+ds-4+b1) ... Setting up bsdextrautils (2.40.2-9) ... Setting up hdf5-helpers (1.10.10+repack-4) ... Setting up libgslcblas0:i386 (2.8+dfsg-3) ... Setting up libmagic-mgc (1:5.45-3) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up libtirpc-common (1.3.4+ds-1.3) ... Setting up fonts-lyx (2.4.2.1-1) ... Setting up libdebhelper-perl (13.20) ... Setting up libbrotli1:i386 (1.1.0-2+b4) ... Setting up libmagic1t64:i386 (1:5.45-3) ... Setting up x11-common (1:7.7+23.1) ... invoke-rc.d: could not determine current runlevel Setting up X socket directories... /tmp/.X11-unix /tmp/.ICE-unix. Setting up libpsl5t64:i386 (0.21.2-1.1) ... Setting up libnghttp2-14:i386 (1.63.0-1) ... Setting up libdeflate0:i386 (1.22-1) ... Setting up libfftw3-long3:i386 (3.3.10-1+b3) ... Setting up gettext-base (0.22.5-2) ... Setting up m4 (1.4.19-4) ... Setting up libevent-2.1-7t64:i386 (2.1.12-stable-10) ... Setting up libqhull-r8.0:i386 (2020.2-6+b1) ... Setting up libcom-err2:i386 (1.47.1-1) ... Setting up file (1:5.45-3) ... Setting up libjbig0:i386 (2.1-6.1+b1) ... Setting up libaec0:i386 (1.1.3-1) ... Setting up libelf1t64:i386 (0.192-4) ... Setting up libpsl-dev:i386 (0.21.2-1.1) ... Setting up libkrb5support0:i386 (1.21.3-3) ... Setting up libsasl2-modules-db:i386 (2.1.28+dfsg1-8) ... Setting up tzdata (2024b-3) ... Current default time zone: 'Etc/UTC' Local time is now: Fri Nov 28 19:33:57 UTC 2025. Universal Time is now: Fri Nov 28 19:33:57 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libglib2.0-0t64:i386 (2.82.2-1) ... No schema files found: doing nothing. Setting up libblas3:i386 (3.12.0-3) ... update-alternatives: using /usr/lib/i386-linux-gnu/blas/libblas.so.3 to provide /usr/lib/i386-linux-gnu/libblas.so.3 (libblas.so.3-i386-linux-gnu) in auto mode Setting up libunbound8:i386 (1.22.0-1) ... Setting up libpkgconf3:i386 (1.8.1-4) ... Setting up libgmpxx4ldbl:i386 (2:6.3.0+dfsg-2+b1) ... Setting up libexpat1-dev:i386 (2.6.3-1) ... Setting up libjpeg62-turbo:i386 (1:2.1.5-3) ... Setting up libgnutls-dane0t64:i386 (3.8.6-2) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libjpeg62-turbo-dev:i386 (1:2.1.5-3) ... Setting up ed (1.20.2-2) ... Setting up librtmp1:i386 (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libncurses6:i386 (6.5-2) ... Setting up liblzf1:i386 (3.6-4+b1) ... Setting up libfftw3-quad3:i386 (3.3.10-1+b3) ... Setting up libfribidi0:i386 (1.0.15-1) ... Setting up diffstat (1.66-1) ... Setting up libimagequant0:i386 (2.18.0-1+b1) ... 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Setting up libopenjp2-7:i386 (2.5.0-2+b3) ... Setting up libx11-6:i386 (2:1.8.7-1+b1) ... Setting up netbase (6.4) ... Setting up libkrb5-3:i386 (1.21.3-3) ... Setting up libssh2-1t64:i386 (1.11.1-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:i386 (2.8+dfsg-3) ... Setting up python-matplotlib-data (3.8.3-3) ... Setting up libgc-dev:i386 (1:8.2.8-1) ... Setting up libtasn1-6-dev:i386 (4.19.0-3+b2) ... Setting up libwebpmux3:i386 (1.4.0-0.1) ... Setting up libgdsii0:i386 (0.2+ds.1-1+b1) ... Setting up readline-common (8.2-5) ... Setting up libxml2:i386 (2.12.7+dfsg+really2.9.14-0.1) ... Setting up libbrotli-dev:i386 (1.1.0-2+b4) ... Setting up chrpath (0.16-2+b1) ... Setting up libp11-kit-dev:i386 (0.25.5-2) ... Setting up libblas-dev:i386 (3.12.0-3) ... update-alternatives: using /usr/lib/i386-linux-gnu/blas/libblas.so to provide /usr/lib/i386-linux-gnu/libblas.so (libblas.so-i386-linux-gnu) in auto mode Setting up libsz2:i386 (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:i386 (14.2.0-7) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up liblapack3:i386 (3.12.0-3) ... update-alternatives: using /usr/lib/i386-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/i386-linux-gnu/liblapack.so.3 (liblapack.so.3-i386-linux-gnu) in auto mode Setting up libncurses-dev:i386 (6.5-2) ... Setting up gettext (0.22.5-2) ... Setting up libgsl-dev (2.8+dfsg-3) ... Setting up libgmp-dev:i386 (2:6.3.0+dfsg-2+b1) ... Setting up nettle-dev:i386 (3.10-1) ... Setting up libxrender1:i386 (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libfftw3-bin (3.3.10-1+b3) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libgdsii-dev:i386 (0.2+ds.1-1+b1) ... Setting up libwebpdemux2:i386 (1.4.0-0.1) ... Setting up libaec-dev:i386 (1.1.3-1) ... Setting up libjpeg-dev:i386 (1:2.1.5-3) ... Setting up libxext6:i386 (2:1.3.4-1+b2) ... Setting up quilt (0.68-1) ... Setting up libldap-2.5-0:i386 (2.5.18+dfsg-3+b1) ... Setting up pkgconf:i386 (1.8.1-4) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:i386 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libfreetype6:i386 (2.13.3+dfsg-1) ... Setting up liblapack-dev:i386 (3.12.0-3) ... update-alternatives: using /usr/lib/i386-linux-gnu/lapack/liblapack.so to provide /usr/lib/i386-linux-gnu/liblapack.so (liblapack.so-i386-linux-gnu) in auto mode Setting up gfortran-14-i686-linux-gnu (14.2.0-7) ... Setting up libgssapi-krb5-2:i386 (1.21.3-3) ... Setting up libssh2-1-dev:i386 (1.11.1-1) ... Setting up libjs-sphinxdoc (7.4.7-4) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:i386 (8.2-5) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up groff-base (1.23.0-5) ... Setting up libxslt1.1:i386 (1.1.35-1.1) ... Setting up libharfbuzz0b:i386 (10.0.1-1) ... Setting up libxss1:i386 (1:1.2.3-1+b1) ... Setting up libfontconfig1:i386 (2.15.0-1.1) ... Setting up gfortran-14 (14.2.0-7) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libfftw3-dev:i386 (3.3.10-1+b3) ... Setting up liblbfgsb0:i386 (3.0+dfsg.4-1+b1) ... Setting up libgnutls28-dev:i386 (3.8.6-2) ... Setting up libnghttp2-dev:i386 (1.63.0-1) ... Setting up libxft2:i386 (2.3.6-1+b1) ... Setting up libcurl4t64:i386 (8.10.1-2) ... Setting up libtirpc3t64:i386 (1.3.4+ds-1.3) ... Setting up guile-3.0-libs:i386 (3.0.10+really3.0.9-1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:i386 (8.6.15-1) ... Setting up python3.12-tk (3.12.7-1) ... Setting up libctl7t64:i386 (4.5.1-3) ... Setting up libreadline-dev:i386 (8.2-5) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up python3.13-tk (3.13.0-1) ... Setting up libhdf5-mpich-103-1t64:i386 (1.10.10+repack-4) ... Setting up gfortran-i686-linux-gnu (4:14.2.0-1) ... Setting up libraqm0:i386 (0.10.1-1+b1) ... Setting up librtmp-dev:i386 (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libnsl2:i386 (1.3.0-3+b2) ... Setting up libhdf5-103-1t64:i386 (1.10.10+repack-4) ... Setting up guile-3.0 (3.0.10+really3.0.9-1) ... update-alternatives: using /usr/lib/i386-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhdf5-hl-100t64:i386 (1.10.10+repack-4) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up libpython3.12-stdlib:i386 (3.12.7-1) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3.12 (3.12.7-1) ... Setting up libhdf5-cpp-103-1t64:i386 (1.10.10+repack-4) ... Setting up libhdf5-fortran-102t64:i386 (1.10.10+repack-4) ... Setting up debhelper (13.20) ... Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libpython3.12t64:i386 (3.12.7-1) ... Setting up mpb (1.11.1-6) ... Setting up libcurl4-openssl-dev:i386 (8.10.1-2) ... Setting up guile-3.0-dev (3.0.10+really3.0.9-1) ... 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:i386 (1.10.10+repack-4) ... Setting up libpython3-stdlib:i386 (3.12.6-1) ... Setting up libhdf5-hl-fortran-100t64:i386 (1.10.10+repack-4) ... Setting up python3 (3.12.6-1) ... Setting up libpython3.12-dev:i386 (3.12.7-1) ... Setting up python3-zipp (3.20.2-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up libctl-dev:i386 (4.5.1-3) ... Setting up python3-six (1.16.0-7) ... Setting up python3-pil:i386 (10.4.0-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.1-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-brotli (1.1.0-2+b4) ... Setting up python3-cycler (0.12.1-1) ... Setting up libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/i386-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/i386-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-kiwisolver (1.4.7-2) ... Setting up python3.12-dev (3.12.7-1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-lxml:i386 (5.3.0-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-more-itertools (10.5.0-1) ... Setting up python3-sympy (1.13.3-1) ... Setting up python3-attr (24.2.0-1) ... Setting up libpython3-dev:i386 (3.12.6-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... 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:i386 (3.12.6-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:i386 (10.4.0-1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.12.6-1) ... Setting up python3-pkg-resources (75.2.0-1) ... Setting up python3-setuptools (75.2.0-1) ... Setting up python3-fs (2.4.16-4) ... Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-contourpy (1.3.0-2) ... Setting up python3-scipy (1.13.1-5) ... Setting up python3-h5py-serial (3.11.0-7) ... Setting up python3-h5py (3.11.0-7) ... Setting up python3-fonttools (4.54.1-4) ... Setting up python3-ufolib2 (0.16.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-3) ... Processing triggers for libc-bin (2.40-3) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 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 [ "i386" = "i386" ] || \ [ "i386" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi all patches needed, do nothing here F77=gfortran dh_auto_configure -- --host=i686-linux-gnu --build=i686-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=i686-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/i386-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=i686-linux-gnu --build=i686-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... (cached) yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for i686-linux-gnu-gcc... i686-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether i686-linux-gnu-gcc accepts -g... yes checking for i686-linux-gnu-gcc option to enable C11 features... none needed checking whether i686-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of i686-linux-gnu-gcc... none checking for i686-linux-gnu-g++... i686-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether i686-linux-gnu-g++ accepts -g... yes checking for i686-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of i686-linux-gnu-g++... none checking whether i686-linux-gnu-g++ supports C++11 features by default... yes checking build system type... i686-pc-linux-gnu checking host system type... i686-pc-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by i686-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/i686-linux-gnu-nm -B checking the name lister (/usr/bin/i686-linux-gnu-nm -B) interface... 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(cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl_intel... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... no checking for sys/time.h... yes checking for immintrin.h... yes checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python2... no checking for python3... /usr/bin/python3 checking for python version... 3.12 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.12/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.12/site-packages checking for Python include directory... /usr/include/python3.12 checking for Python.h... yes checking for Numpy include directory... /usr/lib/python3/dist-packages/numpy/core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build make -j6 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. i686-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 -Wformat -Werror=format-security -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' /bin/bash ../../libtool --tag=CC --mode=compile i686-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 -Wformat -Werror=format-security -c -o mt19937ar.lo mt19937ar.c libtool: compile: i686-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 -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: i686-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 -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 /bin/bash ../../libtool --tag=CC --mode=link i686-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: i686-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o array_slice.lo array_slice.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o bands.lo bands.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o boundaries.lo boundaries.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o bicgstab.lo bicgstab.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o casimir.lo casimir.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c casimir.cpp -fPIC -DPIC -o .libs/casimir.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c array_slice.cpp -fPIC -DPIC -o .libs/array_slice.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c boundaries.cpp -fPIC -DPIC -o .libs/boundaries.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': 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dft.cpp:912:34: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 912 | "array of size %lu", | ~~^ | | | long unsigned int | %u 913 | num_freq, omega.size()); | ~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} dft.cpp: In member function 'void meep::fields::output_dft_components(meep::dft_chunk**, int, meep::volume, const char*)': dft.cpp:1325:63: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 1325 | if (!real_array) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, array_size); | ~~^ ~~~~~~~~~~ | | | | long unsigned int size_t {aka unsigned int} | %u libtool: compile: i686-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=. 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-DPIC -o .libs/material_data.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o monitor.lo monitor.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c monitor.cpp -fPIC -DPIC -o .libs/monitor.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o mympi.lo mympi.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: i686-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=. 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-I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o near2far.lo near2far.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:402:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 402 | int in[5], out[5]; | ^~ libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:242:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 242 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:686:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 686 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ multilevel-atom.cpp: In member function 'virtual void* meep::multilevel_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': multilevel-atom.cpp:138:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 138 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o output_directory.lo output_directory.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o random.lo random.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 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, | ^~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o step_db.lo step_db.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o stress.lo stress.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o structure.lo structure.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o structure_dump.lo structure_dump.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o susceptibility.lo susceptibility.cpp /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o time.lo time.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp: In member function 'virtual void* meep::lorentzian_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': susceptibility.cpp:116:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 116 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u susceptibility.cpp: In member function 'virtual void* meep::gyrotropic_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': susceptibility.cpp:390:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 390 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); | ~~^ ~~ | | | | long unsigned int size_t {aka unsigned int} | %u /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o update_eh.lo update_eh.cpp structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o mpb.lo mpb.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o 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/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o update_pols.lo update_pols.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o vec.lo vec.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 118 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:128: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 128 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:138: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 138 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:146: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 146 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:162: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 162 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:172: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 172 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:182: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 182 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:189: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 189 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:202: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 202 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:216: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 216 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:229: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 229 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:239: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 239 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:267: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 267 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:279: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 279 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:290: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 290 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:298: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 298 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:309: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 330 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:392: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 392 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:407: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 407 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:419: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 419 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:431: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 431 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:447: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 447 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:506: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 506 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:517: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 517 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:526: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 526 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:535: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 535 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:548: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 548 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:558: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 558 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:568: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 568 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:576: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o meepgeom.lo meepgeom.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2867:52: warning: format '%ld' expects argument of type 'long int', but argument 2 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 2867 | meep::abort("The number of adjoint chunks (%ld) is not equal to the number of forward chunks " | ~~^ | | | long int | %d 2868 | "(%ld).\n", 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} meepgeom.cpp:2868:23: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] 2868 | "(%ld).\n", | ~~^ | | | long int | %d 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o 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 | } | ^ step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:99: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 99 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:99: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:106: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 106 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:106: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:111: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 111 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:111: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:120: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 120 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:120: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:130: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 130 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:130: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:140: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 140 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:140: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:148: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 148 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:148: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:164: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 164 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:164: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:174: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 174 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:174: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:184: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 184 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:184: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:191: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 191 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:191: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:204: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 204 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:204: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:218: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 218 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:218: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:231: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 231 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:231: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:241: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 241 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:241: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:269: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:281: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 281 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:281: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:292: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 292 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:292: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:300: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 300 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:300: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:311: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 311 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:311: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:319: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 319 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:319: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:329: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:332: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 332 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:332: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:394: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 394 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:394: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:409: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 409 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:409: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:421: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 421 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:421: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:433: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 433 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:433: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:449: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 449 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:449: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:462: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 462 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:462: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:475: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 475 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:475: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:486: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 486 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:486: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:508: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 508 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:508: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:519: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 519 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:519: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:528: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 528 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:528: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:537: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 537 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:537: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:550: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 550 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:550: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:560: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 560 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:560: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:570: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 570 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:570: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:578: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 578 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:578: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -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: i686-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 -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-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/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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 && i686-linux-gnu-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: i686-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: i686-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-4-4.6/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 ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i 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' i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp i686-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 -Wformat -Werror=format-security -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ 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/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-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/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:56:16: warning: comparison between two arrays [-Warray-compare] 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:56:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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: i686-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: i686-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/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile i686-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 -Wformat -Werror=format-security -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7494:62: warning: unused parameter 'alist' [-Wunused-parameter] 7494 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7495:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7495 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7497:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7497 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7541:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7541 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7542:40: warning: unused parameter 'gv' [-Wunused-parameter] 7542 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7555:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7555 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7556:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7556 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25531:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25531 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25564:44: warning: unused parameter 'self' [-Wunused-parameter] 25564 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125657:95: warning: unused parameter 'varargs' [-Wunused-parameter] 125657 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:125690:52: warning: unused parameter 'self' [-Wunused-parameter] 125690 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125704:102: warning: unused parameter 'varargs' [-Wunused-parameter] 125704 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:125737:59: warning: unused parameter 'self' [-Wunused-parameter] 125737 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125751:94: warning: unused parameter 'varargs' [-Wunused-parameter] 125751 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:125784:51: warning: unused parameter 'self' [-Wunused-parameter] 125784 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125798:96: warning: unused parameter 'varargs' [-Wunused-parameter] 125798 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:125840:53: warning: unused parameter 'self' [-Wunused-parameter] 125840 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ In file included from meep-python.cxx:4065: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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: i686-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: i686-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: i686-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 -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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: i686-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: i686-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 i386 i386 if [ "i386" = "armel" ] || \ [ "i386" = "riscv64" ] || \ [ "i386" = "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' i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib 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bragg_transmission.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now 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../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o cylindrical.o cylindrical.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now 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absorber-1d-ll absorber-1d-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/absorber-1d-ll absorber-1d-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o array-slice-ll.o array-slice-ll.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o array-slice-ll array-slice-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/array-slice-ll array-slice-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o user-defined-material.o user-defined-material.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/user-defined-material user-defined-material.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-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 FAIL: 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 FAIL: 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 FAIL: 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 FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 61 # PASS: 45 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # 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' . ./m4 ./m4/ax_mpi.m4 ./m4/ax_gcc_archflag.m4 ./m4/ax_lapack.m4 ./m4/ax_gcc_x86_cpuid.m4 ./m4/ltversion.m4 ./m4/ax_blas.m4 ./m4/ax_check_compiler_flags.m4 ./m4/ax_cxx_maxopt.m4 ./m4/lt~obsolete.m4 ./m4/pkg.m4 ./m4/ax_compiler_vendor.m4 ./m4/ax_cxx_compile_stdcxx.m4 ./m4/ltoptions.m4 ./m4/ltsugar.m4 ./m4/libtool.m4 ./m4/ax_openmp.m4 ./config.h ./compile ./AUTHORS ./src ./src/structure_dump.o ./src/fields.lo ./src/step_db.o ./src/casimir.cpp ./src/sphere_quad ./src/dft.cpp ./src/h5fields.o ./src/multilevel-atom.o ./src/bicgstab.o ./src/h5fields.cpp ./src/initialize.lo ./src/near2far.lo ./src/sources.lo ./src/bands.o ./src/libmeep.la ./src/casimir.lo ./src/susceptibility.lo ./src/array_slice.cpp ./src/step_generic.lo ./src/time.o ./src/bicgstab.hpp ./src/step.lo ./src/sphere-quad.h ./src/bands.cpp ./src/integrate.o ./src/integrate.lo ./src/output_directory.o ./src/bands.lo ./src/dft_ldos.o ./src/monitor.lo ./src/material_data.lo ./src/output_directory.lo ./src/fields_dump.cpp ./src/fields.o ./src/mympi.cpp ./src/fields_dump.o ./src/GDSIIgeom.cpp ./src/update_eh.o ./src/integrate.cpp ./src/anisotropic_averaging.cpp ./src/step_generic_stride1.cpp ./src/step_generic_stride1.o ./src/material_data.cpp ./src/update_eh.cpp ./src/energy_and_flux.o ./src/array_slice.lo ./src/cw_fields.lo ./src/mympi.o ./src/adjust_verbosity.hpp ./src/dft_ldos.cpp ./src/mympi.lo ./src/meep.hpp ./src/boundaries.lo ./src/energy_and_flux.lo ./src/stress.cpp ./src/structure.o ./src/vec.cpp ./src/h5file.lo ./src/Makefile.in ./src/integrate2.cpp ./src/fix_boundary_sources.lo ./src/update_pols.cpp ./src/stress.o ./src/vec.o ./src/boundaries.cpp ./src/structure_dump.lo ./src/fields_dump.lo ./src/step.o ./src/step_db.lo ./src/step_generic.o ./src/fields.cpp ./src/sources.o ./src/meep_internals.hpp ./src/cw_fields.o ./src/meepgeom.o ./src/Makefile ./src/random.o ./src/material_data.hpp ./src/meepgeom.lo ./src/step_generic.cpp ./src/step_db.cpp ./src/Makefile.am ./src/time.cpp ./src/energy_and_flux.cpp ./src/structure_dump.cpp ./src/mpb.cpp ./src/initialize.o ./src/fix_boundary_sources.o ./src/susceptibility.o ./src/bicgstab.cpp ./src/integrate2.lo ./src/GDSIIgeom.o ./src/multilevel-atom.cpp ./src/array_slice.o ./src/update_eh.lo ./src/support ./src/support/mt19937ar.o ./src/support/mt19937ar.lo ./src/support/Makefile.in ./src/support/meep_mt.h ./src/support/Makefile ./src/support/Makefile.am ./src/support/mt19937ar.c ./src/support/.libs ./src/support/.libs/mt19937ar.o ./src/support/.libs/libsupport.a ./src/support/.libs/libsupport.la ./src/support/libsupport.la ./src/structure.lo ./src/h5file.o ./src/monitor.o ./src/boundaries.o ./src/monitor.cpp ./src/loop_in_chunks.cpp ./src/meep ./src/meep/vec.hpp ./src/meep/meep-config.h ./src/meep/mympi.hpp ./src/meep/meep-config.h.in ./src/cw_fields.cpp ./src/mpb.lo ./src/structure.cpp ./src/random.lo ./src/output_directory.cpp ./src/h5file.cpp ./src/.libs ./src/.libs/structure_dump.o ./src/.libs/step_db.o ./src/.libs/libmeep.so.30 ./src/.libs/h5fields.o ./src/.libs/multilevel-atom.o ./src/.libs/bicgstab.o ./src/.libs/bands.o ./src/.libs/libmeep.la ./src/.libs/time.o ./src/.libs/libmeep.so ./src/.libs/integrate.o ./src/.libs/output_directory.o ./src/.libs/dft_ldos.o ./src/.libs/fields.o ./src/.libs/libmeep.a ./src/.libs/fields_dump.o ./src/.libs/update_eh.o ./src/.libs/step_generic_stride1.o ./src/.libs/energy_and_flux.o ./src/.libs/mympi.o ./src/.libs/structure.o ./src/.libs/stress.o ./src/.libs/vec.o ./src/.libs/step.o ./src/.libs/step_generic.o ./src/.libs/sources.o ./src/.libs/cw_fields.o ./src/.libs/meepgeom.o ./src/.libs/random.o ./src/.libs/initialize.o ./src/.libs/fix_boundary_sources.o ./src/.libs/susceptibility.o ./src/.libs/GDSIIgeom.o ./src/.libs/array_slice.o ./src/.libs/h5file.o ./src/.libs/monitor.o ./src/.libs/boundaries.o ./src/.libs/libmeep.lai ./src/.libs/material_data.o ./src/.libs/dft.o ./src/.libs/update_pols.o ./src/.libs/casimir.o ./src/.libs/integrate2.o ./src/.libs/mpb.o ./src/.libs/near2far.o ./src/.libs/libmeep.so.30.0.0 ./src/.libs/loop_in_chunks.o ./src/.libs/anisotropic_averaging.o ./src/material_data.o ./src/dft.o ./src/update_pols.o ./src/dft_ldos.lo ./src/loop_in_chunks.lo ./src/casimir.o ./src/integrate2.o ./src/susceptibility.cpp ./src/mpb.o ./src/dft.lo ./src/near2far.cpp ./src/vec.lo ./src/sources.cpp ./src/fix_boundary_sources.cpp ./src/update_pols.lo ./src/h5fields.lo ./src/sphere-quad.o ./src/initialize.cpp ./src/GDSIIgeom.lo ./src/near2far.o ./src/sphere-quad.cpp ./src/random.cpp ./src/loop_in_chunks.o ./src/stress.lo ./src/step.cpp ./src/bicgstab.lo ./src/multilevel-atom.lo ./src/anisotropic_averaging.lo ./src/time.lo ./src/meepgeom.cpp ./src/step_generic_stride1.lo ./src/meepgeom.hpp ./src/anisotropic_averaging.o ./stamp-h1 ./aclocal.m4 ./python ./python/source.py ./python/mpb_data.py ./python/meep-python.cxx ./python/examples ./python/examples/media ./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 ./python/examples/media/visualization_demo.gif ./python/examples/media/ring_simple.mp4 ./python/examples/media/hole-wvg-cavity-res.mp4 ./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/oblique-source-normal.mp4 ./python/examples/media/visualization_normalize.mp4 ./python/examples/media/ring_large.mp4 ./python/examples/media/bent_waveguide.mp4 ./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 ./python/examples/media/ring_mid.mp4 ./python/examples/media/visualization_demo.mp4 ./python/examples/media/oblique-source-eig.mp4 ./python/examples/media/hole-wvg-cavity.mp4 ./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 ./python/examples/media/straight_waveguide.mp4 ./python/examples/pw-source.py ./python/examples/zone_plate.py ./python/examples/absorbed_power_density.ipynb ./python/examples/binary_grating_n2f.ipynb ./python/examples/ring-cyl.py ./python/examples/gaussian-beam.py ./python/examples/3rd-harm-1d.ipynb ./python/examples/bend-flux.py ./python/examples/cylinder_cross_section.py ./python/examples/binary_grating_phasemap.py ./python/examples/cavity-farfield.ipynb ./python/examples/binary_grating.py ./python/examples/straight-waveguide.ipynb ./python/examples/solve-cw.ipynb ./python/examples/extraction_eff_ldos.py ./python/examples/polarization_grating.ipynb ./python/examples/ring.py ./python/examples/cyl-ellipsoid.py ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_tri_holes.cpython-312.pyc ./python/examples/__pycache__/mpb_diamond.cpython-312.pyc ./python/examples/__pycache__/mpb_strip.cpython-312.pyc ./python/examples/__pycache__/mpb_line_defect.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-312.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_sq_rods.cpython-312.pyc ./python/examples/absorbed_power_density.py ./python/examples/mie_scattering.py ./python/examples/refl-quartz.ipynb ./python/examples/planar_cavity_ldos.py ./python/examples/oblique-planewave.py ./python/examples/absorber-1d.py ./python/examples/stochastic_emitter.ipynb ./python/examples/ring_gds.py ./python/examples/holey-wvg-bands.py ./python/examples/binary_grating_n2f.py ./python/examples/parallel-wvgs-force.ipynb ./python/examples/refl-angular.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/perturbation_theory_2d.py ./python/examples/ring-mode-overlap.py ./python/examples/mpb_sq_rods.py ./python/examples/wvg-src.py ./python/examples/mie_scattering.ipynb ./python/examples/grating2d_triangular_lattice.py ./python/examples/coupler.py ./python/examples/eps_fit_lorentzian.py ./python/examples/bent-waveguide.ipynb ./python/examples/antenna-radiation.ipynb ./python/examples/parallel-wvgs-force.py ./python/examples/finite_grating.ipynb ./python/examples/mpb_bragg_sine.py ./python/examples/bent-waveguide.py ./python/examples/binary_grating.ipynb ./python/examples/refl-angular-kz2d.py ./python/examples/ring.ipynb ./python/examples/binary_grating_oblique.py ./python/examples/mode-decomposition.py ./python/examples/parallel-wvgs-mpb.py ./python/examples/oblique-planewave.ipynb ./python/examples/README.md ./python/examples/refl-quartz.py ./python/examples/mpb_tri_rods.py ./python/examples/metal-cavity-ldos.ipynb ./python/examples/stochastic_emitter.py ./python/examples/oblique-source.ipynb ./python/examples/coupler.gds ./python/examples/bend-flux.ipynb ./python/examples/mpb_honey_rods.py ./python/examples/multilevel-atom.py ./python/examples/perturbation_theory.ipynb ./python/examples/coupler.ipynb ./python/examples/metasurface_lens.py ./python/examples/differential_cross_section.ipynb ./python/examples/mpb_diamond.py ./python/examples/antenna_pec_ground_plane.py ./python/examples/finite_grating.py ./python/examples/mpb_bragg.py ./python/examples/chirped_pulse.py ./python/examples/differential_cross_section.py ./python/examples/faraday-rotation.py ./python/examples/holey-wvg-cavity.py ./python/examples/mode-decomposition.ipynb ./python/examples/cavity_arrayslice.py ./python/examples/holey-wvg-cavity.ipynb ./python/examples/mpb_strip.py ./python/examples/straight-waveguide.py ./python/examples/diffracted_planewave.py ./python/examples/oblique-source.py ./python/examples/phase_in_material.py ./python/examples/mpb_line_defect.py ./python/examples/metasurface_lens.ipynb ./python/examples/3rd-harm-1d.py ./python/examples/material-dispersion.py ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints ./python/examples/adjoint_optimization/.ipynb_checkpoints/04-Splitter-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/05-Near2Far-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/02-Waveguide_Bend-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/01-Introduction-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/03-Filtered_Waveguide_Bend-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/Bend Minimax-checkpoint.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/zone_plate.ipynb ./python/examples/stochastic_emitter_reciprocity.py ./python/examples/cavity-farfield.py ./python/examples/mpb_hole_slab.py ./python/examples/metal-cavity-ldos.py ./python/examples/refl-angular.ipynb ./python/examples/cherenkov-radiation.py ./python/examples/cylinder_cross_section.ipynb ./python/examples/mpb_tri_holes.py ./python/examples/holey-wvg-bands.ipynb ./python/examples/mpb_tutorial.py ./python/examples/polarization_grating.py ./python/examples/stochastic_emitter_line.py ./python/examples/antenna-radiation.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/perturbation_theory.py ./python/examples/mpb_data_analysis.py ./python/examples/solve-cw.py ./python/_mpb.la ./python/meep-python.hpp ./python/adjoint ./python/adjoint/optimization_problem.py ./python/adjoint/basis.py ./python/adjoint/connectivity.py ./python/adjoint/__pycache__ ./python/adjoint/__pycache__/__init__.cpython-312.pyc ./python/adjoint/__pycache__/basis.cpython-312.pyc ./python/adjoint/__pycache__/utils.cpython-312.pyc ./python/adjoint/__pycache__/optimization_problem.cpython-312.pyc ./python/adjoint/__pycache__/filter_source.cpython-312.pyc ./python/adjoint/__pycache__/objective.cpython-312.pyc ./python/adjoint/utils.py ./python/adjoint/wrapper.py ./python/adjoint/__init__.py ./python/adjoint/filters.py ./python/adjoint/objective.py ./python/adjoint/filter_source.py ./python/mpb-python.cxx ./python/tests ./python/tests/test_get_epsilon_grid.py ./python/tests/test_pw_source.trs ./python/tests/test_ldos.py ./python/tests/test_visualization.trs ./python/tests/test_antenna_radiation.trs ./python/tests/test_integrated_source.py ./python/tests/test_cyl_ellipsoid.trs ./python/tests/test_eigfreq.trs ./python/tests/test_source.log ./python/tests/test_user_defined_material.log ./python/tests/test_special_kz.py ./python/tests/test_get_point.trs ./python/tests/test_adjoint_solver.py ./python/tests/test_kdom.trs ./python/tests/test_fragment_stats.log ./python/tests/test_material_dispersion.py ./python/tests/test_chunks.trs ./python/tests/test_binary_partition_utils.py ./python/tests/test_cavity_farfield.log ./python/tests/test_physical.trs ./python/tests/test_get_point.log ./python/tests/test_mode_coeffs.trs ./python/tests/test_kdom.py ./python/tests/test_chunk_balancer.trs ./python/tests/test_oblique_source.log ./python/tests/test_adjoint_jax.py ./python/tests/test_multilevel_atom.trs ./python/tests/test_simulation.log ./python/tests/test_kdom.log ./python/tests/test_special_kz.log ./python/tests/test_get_point.py ./python/tests/test_wvg_src.py ./python/tests/test_medium_evaluations.py ./python/tests/test_oblique_source.trs ./python/tests/test_verbosity_mgr.py ./python/tests/test_holey_wvg_bands.py ./python/tests/test_medium_evaluations.log ./python/tests/test_pw_source.py ./python/tests/test_get_epsilon_grid.log ./python/tests/test_absorber_1d.trs ./python/tests/test_eigfreq.log ./python/tests/test_mode_coeffs.log ./python/tests/__pycache__ ./python/tests/__pycache__/utils.cpython-312.pyc ./python/tests/utils.py ./python/tests/test_multilevel_atom.py ./python/tests/test_medium_evaluations.trs ./python/tests/test_force.log ./python/tests/test_ring.log ./python/tests/test_dft_energy.trs ./python/tests/test_fragment_stats.trs ./python/tests/test_simulation.trs ./python/tests/test_user_defined_material.trs ./python/tests/test_eigfreq.py ./python/tests/test_fragment_stats.py ./python/tests/test_refl_angular.py ./python/tests/test_conductivity.trs ./python/tests/test_adjoint_cyl.log ./python/tests/test_wvg_src.trs ./python/tests/test_cavity_arrayslice.py ./python/tests/test_wvg_src.log ./python/tests/test_materials_library.trs ./python/tests/test_bend_flux.py ./python/tests/test_dump_load.log ./python/tests/test_prism.trs ./python/tests/test_prism.py ./python/tests/test_adjoint_utils.log ./python/tests/test_divide_mpi_processes.trs ./python/tests/test_gaussianbeam.py ./python/tests/test_ring_cyl.log ./python/tests/test_divide_mpi_processes.log ./python/tests/test_cyl_ellipsoid.log ./python/tests/test_antenna_radiation.log ./python/tests/test_dft_energy.log ./python/tests/test_mpb.trs ./python/tests/test_refl_angular.log ./python/tests/test_holey_wvg_cavity.log ./python/tests/test_ldos.log ./python/tests/test_cavity_arrayslice.log ./python/tests/test_special_kz.trs ./python/tests/test_dump_load.trs ./python/tests/test_ring_cyl.py ./python/tests/test_divide_mpi_processes.py ./python/tests/test_user_defined_material.py ./python/tests/test_field_functions.log ./python/tests/test_ldos.trs ./python/tests/data ./python/tests/data/cavity_arrayslice_2d.npy ./python/tests/data/tutorial-e.k16.b08.z.tm.h5 ./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 ./python/tests/data/cavity_arrayslice_1d.npy ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 ./python/tests/data/subpixel_avg-epsilon.h5 ./python/tests/data/tutorial-C.k16.b08.te.h5 ./python/tests/data/cavity-farfield.h5 ./python/tests/data/tutorial-mu.h5 ./python/tests/data/tutorial-d.k16.b08.te.h5 ./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/tutorial-te-eigenvectors-8-1.h5 ./python/tests/data/bend-flux.gds ./python/tests/data/eps_input_file_test.h5 ./python/tests/data/convex_prism_vertices.npz ./python/tests/data/tutorial-te-eigenvectors-3-3.h5 ./python/tests/data/tutorial-epsilon.h5 ./python/tests/data/spiral.gds ./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 ./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 ./python/tests/data/tutorial-flux.v.k11.b08.te.h5 ./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 ./python/tests/data/tutorial-b.k16.b08.te.h5 ./python/tests/data/amp_func_file.h5 ./python/tests/data/diamond-dpwr.k06.b05.h5 ./python/tests/data/bragg-h.k01.b08.y.tm.h5 ./python/tests/data/tutorial-d.k01.b02.te.h5 ./python/tests/data/tutorial-te-eigenvectors.h5 ./python/tests/data/nonconvex_prism_vertices3.npz ./python/tests/data/nonconvex_prism_vertices2.npz ./python/tests/data/nonconvex_prism_vertices1.npz ./python/tests/data/tutorial-h.k16.b08.te.h5 ./python/tests/data/strip-flux.v.k01.b04.x.h5 ./python/tests/data/cavity-farfield-4-freqs.h5 ./python/tests/data/tutorial-e.k16.b08.te.h5 ./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 ./python/tests/data/tutorial-d.k16.b02.te.h5 ./python/tests/data/line-defect-e.k04.b12.z.tm.h5 ./python/tests/test_chunk_layout.log ./python/tests/test_gaussianbeam.log ./python/tests/test_ring.py ./python/tests/test_cavity_farfield.trs ./python/tests/test_visualization.log ./python/tests/test_geom.trs ./python/tests/test_mpb.py ./python/tests/test_faraday_rotation.py ./python/tests/test_n2f_periodic.log ./python/tests/test_array_metadata.log ./python/tests/test_simulation.py ./python/tests/test_3rd_harm_1d.py ./python/tests/test_force.trs ./python/tests/test_antenna_radiation.py ./python/tests/test_adjoint_utils.py ./python/tests/test_chunk_balancer.log ./python/tests/test_diffracted_planewave.log ./python/tests/test_diffracted_planewave.py ./python/tests/test_dft_fields.trs ./python/tests/test_holey_wvg_cavity.py ./python/tests/test_force.py ./python/tests/test_multilevel_atom.log ./python/tests/test_chunk_layout.trs ./python/tests/test_field_functions.trs ./python/tests/test_get_epsilon_grid.trs ./python/tests/test_dft_fields.log ./python/tests/test_absorber_1d.py 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./scheme/meep-main.o ./scheme/meep_enum_renames.i ./scheme/examples ./scheme/examples/metasurface_lens_farfield.ctl ./scheme/examples/antenna-radiation.ctl ./scheme/examples/mie-scattering.ctl ./scheme/examples/refl-quartz.ctl ./scheme/examples/material-dispersion.ctl ./scheme/examples/solve-cw.ctl ./scheme/examples/ring.ctl ./scheme/examples/refl-angular-kz2d.ctl ./scheme/examples/wvg_src.ctl ./scheme/examples/mode-coeffs.ctl ./scheme/examples/chirped-pulse.ctl ./scheme/examples/binary_grating_oblique.ctl ./scheme/examples/parallel-wvgs-mpb.ctl ./scheme/examples/mode-decomposition.ctl ./scheme/examples/finite_grating.ctl ./scheme/examples/absorbed-power-density.ctl ./scheme/examples/pw-source.ctl ./scheme/examples/multilevel-atom.ctl ./scheme/examples/holey-wvg-bands.ctl ./scheme/examples/3rd-harm-1d.ctl ./scheme/examples/holey-wvg-cavity.ctl ./scheme/examples/group-velocity.ctl ./scheme/examples/bent-waveguide.ctl ./scheme/examples/oblique-source.ctl ./scheme/examples/metal-cavity-ldos.ctl ./scheme/examples/metasurface_lens_phasemap.ctl ./scheme/examples/refl-angular.ctl ./scheme/examples/oblique-planewave.ctl ./scheme/examples/binary_grating_n2f.ctl ./scheme/examples/perturbation-theory-2d.ctl ./scheme/examples/polarization_grating.ctl ./scheme/examples/gaussian-beam.ctl ./scheme/examples/ring-cyl.ctl ./scheme/examples/cylinder-cross-section.ctl ./scheme/examples/binary_grating.ctl ./scheme/examples/perturbation-theory.ctl ./scheme/examples/cherenkov-radiation.ctl ./scheme/examples/parallel-wvgs-force.ctl ./scheme/examples/differential-cross-section.ctl ./scheme/examples/straight-waveguide.ctl ./scheme/examples/binary_grating_phasemap.ctl ./scheme/examples/zone-plate.ctl ./scheme/examples/bend-flux.ctl ./scheme/examples/cavity-farfield.ctl ./scheme/examples/stochastic-emitter.ctl ./scheme/examples/faraday-rotation.ctl ./scheme/meep_wrap.cxx ./scheme/meep_wrap.cxx.orig ./scheme/meep-ctl-swig.hpp ./scheme/ctl-io.i ./scheme/meep_op_renames.i ./scheme/meep.scm.in ./scheme/ctl-io.h ./scheme/Makefile.in ./scheme/meep-ctl.hpp ./scheme/meep.scm ./scheme/meep.cpp ./scheme/Makefile ./scheme/meep-ctl-io.o ./scheme/Makefile.am ./scheme/materials.scm ./scheme/meep_renames.i ./scheme/ctl-io.cpp ./scheme/meep ./scheme/meep-ctl-const.hpp ./scheme/structure.cpp ./scheme/main.cpp ./scheme/.libs ./scheme/.libs/meep ./scheme/meep_wrap.patch ./scheme/meep_wrap.cxx.bak ./scheme/meep-meep.o ./scheme/meep.i ./scheme/meep-structure.o ./scheme/meep-geom.o ./scheme/meep-meep_wrap.o ./scheme/meep_swig_bug_workaround.i ./scheme/meep-enums.scm ./scheme/geom.cpp ./README.md ./version.sh ./index.md ./.flake8 ./.pre-commit-config.yaml ./debian ./debian/meep.1 ./debian/libmeep30.lintian-overrides ./debian/changelog ./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-4-4.6 ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base ./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base/include.scm.go ./debian/python3-meep.postinst ./debian/upstream ./debian/upstream/metadata ./debian/autoreconf.after ./debian/meep.docs ./debian/libmeep30.install ./debian/meep.install ./debian/python3-meep.prerm ./debian/meep.manpages ./debian/python3-meep.install ./debian/README.source ./debian/missing-sources ./debian/missing-sources/highlight.js ./debian/missing-sources/jquery-2.1.1.js ./debian/missing-sources/modernizr-2.8.3.js ./debian/control ./debian/watch ./debian/patches ./debian/patches/python-distutils.patch ./debian/patches/series ./debian/patches/i386-fix.patch ./debian/autoreconf.before ./debian/rules ./debian/docs ./debian/copyright ./debian/source ./debian/source/format ./debian/source/lintian-overrides ./debian/libmeep-dev.install ./meep-pkgconfig ./meep.pc ./.gitattributes ./.github ./.github/dependabot.yml ./.github/workflows ./.github/workflows/pre-commit.yml ./.github/workflows/build-ci.yml ./.github/workflows/build-san.yml ./autogen.sh ./NEWS.md ./py-compile ./depcomp ./ltmain.sh ./configure ./config.sub ./config.log ./libtool ./codecov.yml ./TODO ./.sourcery.yaml ./config.status ./install-sh ./test-driver ======================================== meep 1.25.0: python/test-suite.log ======================================== # TOTAL: 61 # PASS: 45 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-duv0nbjn because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2875 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-8lp1ajv0 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2617 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-tn82diyi because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2605 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-i9vozbml because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0024 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-tsk1llqv because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0007 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_fragment_stats =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-0yvkaz68 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ssss....F.......................... ====================================================================== FAIL: test_1d_with_partial_fragment (__main__.TestFragmentStats.test_1d_with_partial_fragment) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_fragment_stats.py", line 168, in test_1d_with_partial_fragment self.check_stats(fs, a_eps=260, a_mu=260, nonlin=480, susc=480, cond=480) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_fragment_stats.py", line 43, in check_stats self.assertEqual(fragment.num_nonlinear_pixels, nonlin) AssertionError: 483 != 480 ---------------------------------------------------------------------- Ran 35 tests in 0.008s FAILED (failures=1, skipped=4) Elapsed run time = 0.0103 s FAIL tests/test_fragment_stats.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-3o4y3b7u because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2847 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_dispersion ==================================== Matplotlib created a temporary cache directory at /tmp/matplotlib-dhf_5tjb because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 1.08849e-05 s Working in 2D dimensions. Computational cell is 0.05 x 0.05 x 0 with resolution 20 time for set_epsilon = 0.000764883 s ----------- F ====================================================================== FAIL: test_material_dispersion_with_user_material (__main__.TestMaterialDispersion.test_material_dispersion_with_user_material) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_dispersion.py", line 53, in test_material_dispersion_with_user_material np.testing.assert_allclose(expected, res) File "/usr/lib/python3/dist-packages/numpy/testing/_private/utils.py", line 1504, in assert_allclose assert_array_compare(compare, actual, desired, err_msg=str(err_msg), File "/usr/lib/python3.12/contextlib.py", line 81, in inner return func(*args, **kwds) ^^^^^^^^^^^^^^^^^^^ File "/usr/lib/python3/dist-packages/numpy/testing/_private/utils.py", line 713, in assert_array_compare raise AssertionError(msg) AssertionError: Not equal to tolerance rtol=1e-07, atol=0 (shapes (7,), (6,) mismatch) x: array([0.199934, 0.41054 , 0.620241, 0.828574, 1.035074, 1.239278, 1.440721]) y: array([0.41054 , 0.620241, 0.828574, 1.035074, 1.239278, 1.440721]) ---------------------------------------------------------------------- Ran 1 test in 2.240s FAILED (failures=1) Meep: using complex fields. harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error run 0 finished at t = 205.0 (8200 timesteps) freqs:, 1, 0.3, 0.0, 0.0, freqs-im:, 1, 0.3, 0.0, 0.0, harminv1:, frequency, imag. freq., Q, |amp|, amplitude, error harminv1:, 0.4105396381037535, 2.0910945487418548e-10, -981638152.9729542, 0.020591408589137817, -0.01968822358493247+0.006031580203771448i, 4.34447717905473e-11+0.0i run 1 finished at t = 205.0 (8200 timesteps) freqs:, 2, 0.6166666666666667, 0.0, 0.0, 0.4105396381037535 freqs-im:, 2, 0.6166666666666667, 0.0, 0.0, 2.0910945487418548e-10 harminv2:, frequency, imag. freq., Q, |amp|, amplitude, error harminv2:, 0.6202409070451914, 9.612343037320632e-14, -3226273264681.984, 0.08485376288916016, 0.07163805665681654-0.04547691628600777i, 1.7052598483278865e-14+0.0i run 2 finished at t = 205.0 (8200 timesteps) freqs:, 3, 0.9333333333333333, 0.0, 0.0, 0.6202409070451914 freqs-im:, 3, 0.9333333333333333, 0.0, 0.0, 9.612343037320632e-14 harminv3:, frequency, imag. freq., Q, |amp|, amplitude, error harminv3:, 0.8285737385146624, -3.213067018211099e-12, 128938135093.11386, 0.1998995444148996, -0.13748806871518973+0.14510981640899312i, 5.928513841341163e-13+0.0i run 3 finished at t = 205.0 (8200 timesteps) freqs:, 4, 1.2500000000000002, 0.0, 0.0, 0.8285737385146624 freqs-im:, 4, 1.2500000000000002, 0.0, 0.0, -3.213067018211099e-12 harminv4:, frequency, imag. freq., Q, |amp|, amplitude, error harminv4:, 1.0350739448523056, 5.6543194337180585e-15, -91529489710106.6, 0.2871707382976269, 0.14779899248813194-0.24621634948536064i, 5.509415613253732e-15+0.0i run 4 finished at t = 205.0 (8200 timesteps) freqs:, 5, 1.5666666666666669, 0.0, 0.0, 1.0350739448523056 freqs-im:, 5, 1.5666666666666669, 0.0, 0.0, 5.6543194337180585e-15 harminv5:, frequency, imag. freq., Q, |amp|, amplitude, error harminv5:, 1.2392775309110082, -7.675738631272731e-13, 807269235212.0391, 0.26102801425967376, -0.0917275020553774+0.24438021522829784i, 1.3465945641921225e-13+0.0i run 5 finished at t = 205.0 (8200 timesteps) freqs:, 6, 1.8833333333333335, 0.0, 0.0, 1.2392775309110082 freqs-im:, 6, 1.8833333333333335, 0.0, 0.0, -7.675738631272731e-13 harminv6:, frequency, imag. freq., Q, |amp|, amplitude, error harminv6:, 1.4407208712852115, -1.0601848938221453e-13, 6794667985181.197, 0.1545289216944441, 0.0338882130110763-0.15076729306770603i, 2.6350689701061537e-14+0.0i run 6 finished at t = 205.0 (8200 timesteps) freqs:, 7, 2.2, 0.0, 0.0, 1.4407208712852115 freqs-im:, 7, 2.2, 0.0, 0.0, -1.0601848938221453e-13 Elapsed run time = 2.2420 s FAIL tests/test_material_dispersion.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-n7aoe9s8 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2628 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-6e6tdl0a because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepWcFBDI/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: 0.002602100372314453 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 = 10.77194213866495 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.075497292525815 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.716684762653727 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969439 (33.2369% change) linmin: converged after 6 iterations. iteration 5: trace = 1.060832724595362 (14.5603% change) linmin: converged after 6 iterations. iteration 6: trace = 0.9599758521139463 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400219945 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450960113 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420497659 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.851658855268673 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996293644 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798599324 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.8366290692502875 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.834767852381018 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495478018 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347977 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181532133 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026629 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146417121 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360766 (0.00776977% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320745163302471 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8320513170030416 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035335 (0.00161738% change) linmin: converged after 7 iterations. iteration 24: trace = 0.8320296693273933 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100993 (0.000507233% change) linmin: converged after 5 iterations. iteration 26: trace = 0.832023101139041 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827427 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241412 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596368 (5.87322e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320203215435704 (3.06382e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8320202068520485 (1.37847e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439104616 (7.56491e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056779525 (4.59514e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829981772 (2.72587e-06% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200693467525 (1.64076e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200636021566 (6.9044e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8320200604495431 (3.78911e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200588885585 (1.87614e-07% change) linmin: converged after 16 iterations. iteration 39: trace = 0.8320200580360256 (1.02465e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 0.83202005761474 (5.06341e-08% change) linmin: converged after 15 iterations. iteration 41: trace = 0.832020057406152 (2.50701e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 0.8320200572926094 (1.36466e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8320200572316002 (7.33266e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8320200571981563 (4.0196e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 0.832020057176202 (2.63868e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 0.8320200571626019 (1.63459e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 0.8320200571545803 (9.64109e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.8320200571500245 (5.47559e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 0.8320200571472477 (3.33739e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 0.8320200571454119 (2.20638e-10% change) linmin: converged after 5 iterations. iteration 51: trace = 0.8320200571444556 (1.14943e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 0.8320200571439202 (6.43433e-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: 0.16853976249694824 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073592279 (1.48851% change) linmin: converged after 12 iterations. iteration 2: trace = 0.8364158268933675 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576187277 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413728636 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867259715 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392489437 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193317008 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498476494 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497751 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965165 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8306204188765359 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030416 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818072 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313097 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462607 (0.000373166% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8305341210791178 (0.000176617% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8305331675841156 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294111 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123354 (3.69061e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8305320916748302 (2.20265e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 0.8305320019893807 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056192 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924531 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092507 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197334 (1.43155e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8305318965921978 (9.18392e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8305318905537236 (7.27061e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.830531887555613 (3.60987e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8305318858786971 (2.01909e-07% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8305318849630974 (1.10243e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8305318845533308 (4.93378e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8305318842111973 (4.11945e-08% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8305318840358359 (2.11143e-08% change) linmin: converged after 21 iterations. iteration 35: trace = 0.8305318839403599 (1.14958e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001321 (4.84362e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8305318838746916 (3.06316e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8305318838577107 (2.04458e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8305318838472706 (1.25704e-09% change) linmin: converged after 16 iterations. iteration 40: trace = 0.8305318838419792 (6.37114e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8305318838394078 (3.09607e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374597 (2.34562e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 0.8305318838359889 (1.77094e-10% change) linmin: converged after 17 iterations. iteration 44: trace = 0.830531883835027 (1.15817e-10% change) linmin: converged after 15 iterations. iteration 45: trace = 0.8305318838345979 (5.16658e-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: 0.24631786346435547 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8363158601014044 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083119931 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.833245866494393 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918505957 (0.119613% change) linmin: converged after 14 iterations. iteration 5: trace = 0.8311832900374284 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394196968 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.830341661698794 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132781484 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8300781559956839 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450114808 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209968716 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236589871 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.82994414201664 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104419952 (0.00104002% change) linmin: converged after 7 iterations. iteration 15: trace = 0.8299314094940708 (0.00049413% change) linmin: converged after 8 iterations. iteration 16: trace = 0.8299288478385857 (0.000308659% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859888662 (0.000224339% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864082489 (0.000144541% change) linmin: converged after 10 iterations. iteration 19: trace = 0.8299250658262969 (8.68249e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454664623 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243779007653 (3.22398e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 0.8299242050804642 (2.08236e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8299241006176709 (1.2587e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8299240288712447 (8.64494e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857349108 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.829923964867442 (2.51438e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.829923955909565 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507818059 (6.17859e-07% change) linmin: converged after 11 iterations. iteration 29: trace = 0.8299239486790412 (2.53368e-07% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8299239474471388 (1.48436e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745056 (8.10476e-08% change) linmin: converged after 19 iterations. iteration 32: trace = 0.8299239462912075 (5.8234e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8299239460822311 (2.51802e-08% change) linmin: converged after 32 iterations. iteration 34: trace = 0.8299239459468994 (1.63065e-08% change) linmin: converged after 27 iterations. iteration 35: trace = 0.829923945876588 (8.47203e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8299239458198525 (6.83623e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8299239457895681 (3.64906e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8299239457730864 (1.98593e-09% change) linmin: converged after 5 iterations. iteration 39: trace = 0.829923945762244 (1.30642e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8299239457533903 (1.06681e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488163 (5.51136e-10% change) linmin: converged after 15 iterations. iteration 42: trace = 0.8299239457466067 (2.66251e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8299239457457743 (1.0029e-10% change) linmin: converged after 7 iterations. iteration 44: trace = 0.8299239457452544 (6.26464e-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: 0.24111485481262207 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8384579710372427 (1.6581% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8362067464021666 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8349591214246765 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527434684389 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082199988508 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396397047 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310409009 (0.0708779% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8291618777512197 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352312484 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540905142 (0.0268094% change) linmin: converged after 4 iterations. iteration 11: trace = 0.828480260697513 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8283945735769481 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444933211 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330452721 (0.00281427% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8283033017525537 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079886109 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480625778 (0.000707472% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8282850045905201 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184111433 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842419 (0.000129428% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8282816459330923 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972706 (4.1017e-05% change) linmin: converged after 23 iterations. iteration 23: trace = 0.8282810615722171 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635216908 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507557 (6.69712e-06% change) linmin: converged after 20 iterations. iteration 26: trace = 0.8282808797258089 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634905779 (1.96011e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640298 (1.00528e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8282808490579527 (7.37199e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.828280845681742 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851959 (2.5312e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8282808424976552 (1.31301e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8282808418243472 (8.12898e-08% change) linmin: converged after 10 iterations. iteration 34: trace = 0.8282808413684928 (5.50362e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411401035 (2.75739e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003683 (1.68705e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003369 (1.2077e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8282808408204217 (9.64832e-09% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8282808407815189 (4.69682e-09% change) linmin: converged after 11 iterations. iteration 40: trace = 0.8282808407436569 (4.57115e-09% change) linmin: converged after 28 iterations. iteration 41: trace = 0.8282808407148375 (3.47942e-09% change) linmin: converged after 9 iterations. iteration 42: trace = 0.8282808406920089 (2.75615e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8282808406803965 (1.40199e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 0.8282808406737897 (7.97655e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 0.8282808406704855 (3.98928e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 0.8282808406687534 (2.09115e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678067 (1.14295e-10% change) linmin: converged after 9 iterations. iteration 48: trace = 0.8282808406674247 (4.6123e-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: 0.26185154914855957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 0.8297766891058391 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8271261684559925 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084401891 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488606745 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828349102 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591581346 (0.108572% change) linmin: converged after 3 iterations. iteration 7: trace = 0.820078298868239 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383759668 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194477957 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411858508 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098393767 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363290939 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475609894 (0.00130416% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8195801359375836 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858622322 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744421 (0.000194331% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8195753474397136 (7.87889e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8195750259742656 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466734982 (2.18773e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8195747606874657 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048872 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680508 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620213 (2.88028e-06% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8195746392254348 (1.29782e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8195746328348386 (7.79745e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.819574629549472 (4.00862e-07% change) linmin: converged after 15 iterations. iteration 27: trace = 0.8195746281501678 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400534 (1.11047e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8195746268100945 (5.24612e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188516 (3.55359e-08% change) linmin: converged after 22 iterations. iteration 31: trace = 0.8195746264084733 (1.34678e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8195746263156766 (1.13226e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8195746262714595 (5.39512e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8195746262510978 (2.48442e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8195746262406706 (1.27227e-09% change) linmin: converged after 6 iterations. iteration 36: trace = 0.8195746262340659 (8.05871e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8195746262311612 (3.54413e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8195746262301503 (1.23339e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8195746262296734 (5.8195e-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: 0.2130141258239746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387202398 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241161736 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8175355594327641 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027531498 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327983 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218182 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190168 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418059 (0.00742647% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8153020394554311 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8152830534511861 (0.00232874% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327958309 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8152664896382914 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044375414 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738087 (0.00021925% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8152605303294073 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119034 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059347025 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120728 (1.73837e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8152593920835794 (8.84731e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8152593577039611 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987895 (2.72369e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8152593247016554 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087748 (9.06813e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254378 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047842 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736246 (8.96843e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092137 (3.24327e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493366 (1.96106e-08% change) linmin: converged after 18 iterations. iteration 29: trace = 0.8152593107911472 (7.13753e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576604 (4.1075e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 0.8152593107456164 (1.47733e-09% change) linmin: converged after 11 iterations. iteration 32: trace = 0.8152593107377926 (9.59677e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8152593107338365 (4.85251e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8152593107317029 (2.61711e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306814 (1.253e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 0.8152593107299858 (8.5317e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.1966240406036377 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867691 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691144 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603221 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631811 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8112401685594188 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067756 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8104033710413463 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478485 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733522 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405769 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866159 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843556 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8101190529539549 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189374 (0.000599572% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8101112551273715 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752515 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151887 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261209 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963098 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543437 (5.14029e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8101088443461939 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233471 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653671 (6.36702e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8101088257061434 (3.77631e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101088238653301 (2.2723e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8101088226655313 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.810108821992104 (8.3128e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8101088216435337 (4.30276e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8101088214253361 (2.69344e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419805 (1.02894e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8101088213102631 (3.9152e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925476 (2.1868e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18067e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.810108821279296 (4.55117e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770261 (2.80191e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8101088212756528 (1.69526e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8101088212748302 (1.01537e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8101088212743904 (5.4284e-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: 0.20725226402282715 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8092733711280573 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.806298496977284 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378261 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8040592280609724 (0.158299% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8034666835426733 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766843773 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577068 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265887 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041474 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698016 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733459998 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323347 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539717 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552021 (0.000236265% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027839219051779 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207146 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213432 (2.59347e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027831684655304 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738783 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936691 (2.14008e-06% change) linmin: converged after 14 iterations. iteration 21: trace = 0.8027830866479166 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597392 (8.58037e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8027830760515247 (4.6192e-07% change) linmin: converged after 14 iterations. iteration 24: trace = 0.8027830736191425 (3.02994e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8027830724307857 (1.4803e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.802783071757541 (8.38638e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027830715079962 (3.1085e-08% change) linmin: converged after 27 iterations. iteration 28: trace = 0.802783071393905 (1.4212e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027830713270439 (8.32867e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 0.802783071298987 (3.49495e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8027830712879677 (1.37264e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8027830712796191 (1.03995e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8027830712735207 (7.59664e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8027830712713139 (2.74892e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 0.8027830712698055 (1.8789e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027830712687665 (1.29432e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027830712683001 (5.80985e-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: 0.20217394828796387 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225886872 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8048325881927612 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136602108 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724598713 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356251926 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650485 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415048933 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775541 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785081 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407228 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526489 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914456 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8027238801143824 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985958 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384178 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959511 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701807 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596902 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591476 (3.75227e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.802715806878175 (1.27419e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8027157420448235 (8.07675e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027157093436421 (4.07382e-06% change) linmin: converged after 12 iterations. iteration 23: trace = 0.8027156963900608 (1.61372e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8027156897719053 (8.24471e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8027156870140718 (3.43563e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301816 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538267 (8.42583e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766799 (5.94416e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8027156840251535 (3.13344e-08% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8027156839051064 (1.49551e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537025 (6.40375e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8027156838186872 (4.36211e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8027156837999558 (2.3335e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8027156837942557 (7.10103e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.802715683790459 (4.72987e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8027156837880041 (3.05827e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8027156837870195 (1.22652e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8027156837865849 (5.41477e-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: 0.20708417892456055 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376368959 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522677991 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935487059 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331387261 (0.0883945% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8121871670607641 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023564729 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115423001 (0.0223593% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8114739977364925 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011433675 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750799158 (0.0086925% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8112504355243508 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8112110667173144 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254009712 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668313 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100558 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8111354444139365 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057775 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8111301871456815 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274571 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631673 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725697 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812005 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 20 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8111284433478086 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032388 (2.60681e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8111284113560906 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317491 (1.05092e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8111283987915797 (4.98092e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8111283967889795 (2.46891e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.811128395521702 (1.56236e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8111283948185345 (8.669e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8111283945321686 (3.53046e-08% change) linmin: converged after 5 iterations. iteration 34: trace = 0.8111283944066425 (1.54755e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8111283943165298 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752678 (5.08699e-09% change) linmin: converged after 20 iterations. iteration 37: trace = 0.8111283942632422 (1.48258e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8111283942557563 (9.229e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508333 (6.0694e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8111283942481876 (3.2617e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 0.811128394246809 (1.69956e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8111283942460427 (9.4484e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.23080658912658691 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269413967 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264811673 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782232655 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629084945 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.823946322241319 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425339298 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507172066 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802310837 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695698459 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.820608319130539 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287670154 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982983442 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.819540635323601 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.819346921186038 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771358588 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953725175 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570080041 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360020393 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855887906 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.819099400210711 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428504 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292439 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947621 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.819074813932536 (0.000280372% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8190737905148731 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885722803 (9.79085e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8190726416047919 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469599 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634325844 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223058884 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8190722936361977 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.819072279950628 (1.67086e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8190722717209074 (1.00476e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8190722641678111 (9.22153e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175536 (8.85179e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8190722523986249 (5.51713e-07% change) linmin: converged after 21 iterations. iteration 37: trace = 0.8190722470126061 (6.57576e-07% change) linmin: converged after 15 iterations. iteration 38: trace = 0.8190722404773053 (7.97891e-07% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8190722358112412 (5.69677e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 0.8190722327134123 (3.78212e-07% change) linmin: converged after 8 iterations. iteration 41: trace = 0.8190722304560789 (2.75596e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8190722291582387 (1.58452e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8190722281638646 (1.21402e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599063 (7.37369e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229332 (2.89319e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 0.8190722271693945 (1.87454e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 0.819072227107157 (7.59854e-09% change) linmin: converged after 2 iterations. iteration 48: trace = 0.8190722270707897 (4.44005e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8190722270585139 (1.49875e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 0.8190722270528342 (6.93428e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.819072227049595 (3.9547e-10% change) linmin: converged after 7 iterations. iteration 52: trace = 0.8190722270481864 (1.71981e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 0.8190722270474012 (9.58584e-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: 0.28806591033935547 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723244908909 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838457486492 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719750974567 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821377743 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841583937 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348821712 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055609699 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668333624 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147358325 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758552283 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572227886 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.809148986995721 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838520386 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495609455 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048313969 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.809019696170865 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532579842 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585299 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828343 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8090117465490736 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733273 (3.89828e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8090112622133494 (2.08847e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8090112032213213 (7.29187e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8090111645767114 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273179 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871472 (1.4759e-06% change) linmin: converged after 9 iterations. iteration 27: trace = 0.8090111299481259 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591615 (8.02086e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8090111190077979 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067442 (3.70953e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8090111140715626 (2.39203e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8090111128405588 (1.52162e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8090111123538598 (6.01597e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8090111120761608 (3.43257e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8090111118275716 (3.07275e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8090111117288266 (1.22056e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8090111116923979 (4.50286e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 0.8090111116668653 (3.15602e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513793 (1.9142e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 0.8090111116440936 (9.00572e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8090111116401748 (4.84388e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8090111116384464 (2.13643e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8090111116376201 (1.02142e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 0.8090111116370089 (7.55463e-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: 0.23933172225952148 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170992979 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8139180273648956 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308005818 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8115816240606818 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900113 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344377 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147348 (0.0192663% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8101854245831356 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515932 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8101209445534977 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.810110714371729 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865761 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483943 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.810102419177937 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435782 (5.98732e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 0.8101016896360242 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8101015104593609 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 17 iterations. iteration 20: trace = 0.810101476673287 (1.22544e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.810101471916273 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525343 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412501 (1.74211e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8101014671897424 (1.05111e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8101014666458748 (6.71357e-08% change) linmin: converged after 11 iterations. iteration 26: trace = 0.8101014663668962 (3.44375e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101014662654048 (1.25282e-08% change) linmin: converged after 13 iterations. iteration 28: trace = 0.8101014662094291 (6.90971e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8101014661850843 (3.00516e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8101014661721248 (1.59974e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8101014661683211 (4.69524e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663736 (2.40409e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8101014661650527 (1.63045e-10% change) linmin: converged after 7 iterations. iteration 34: trace = 0.810101466164631 (5.20643e-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: 0.186478853225708 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898745423 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911061907 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232295356 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799097619 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8273222532321141 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608251191 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495265097 (0.0654359% change) linmin: converged after 3 iterations. iteration 8: trace = 0.82541982653565 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616629 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828733 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464151 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823414 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8249285370650696 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087221 (0.00138894% change) linmin: converged after 5 iterations. iteration 15: trace = 0.8249097450566575 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163065 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750694 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258286 (0.000119135% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8249021282724937 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074977 (3.24602e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8249016803447522 (2.18405e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8249015845869484 (1.16084e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8249015344706889 (6.07542e-06% change) linmin: converged after 6 iterations. iteration 24: trace = 0.8249015089280832 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902103 (1.70176e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8249014886144894 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8249014853873693 (3.91213e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8249014836509994 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636331 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8249014823775752 (4.68005e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.824901482200791 (2.1431e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8249014820905044 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217443 (8.33555e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8249014819930204 (3.4821e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693663 (2.8675e-09% change) linmin: converged after 5 iterations. iteration 36: trace = 0.8249014819539565 (1.86808e-09% change) linmin: converged after 20 iterations. iteration 37: trace = 0.8249014819460344 (9.6037e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8249014819420615 (4.81625e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8249014819395268 (3.07266e-10% change) linmin: converged after 15 iterations. iteration 40: trace = 0.8249014819380523 (1.78747e-10% change) linmin: converged after 7 iterations. iteration 41: trace = 0.8249014819373072 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.22360730171203613 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504578251 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.843008912603311 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510162 (0.542365% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8335042421906143 (0.591506% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8312006937664816 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220732 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409846 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420778 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716739 (0.0169034% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8294292605779829 (0.00896136% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8293756458030878 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786936 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962766 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035649 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425474 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723076 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722008 (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 = 0.8293599788560101 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100368 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795796 (3.76561e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.829359881782839 (1.97704e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8293598714059223 (1.2512e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8293598655872652 (7.01584e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8293598628133633 (3.34463e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.829359861278171 (1.85106e-07% change) linmin: converged after 26 iterations. iteration 28: trace = 0.8293598604061123 (1.05148e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8293598600266707 (4.57511e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8293598598808684 (1.75801e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8293598598147808 (7.9685e-09% change) linmin: converged after 33 iterations. iteration 32: trace = 0.8293598597813744 (4.02797e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8293598597669877 (1.73468e-09% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8293598597619851 (6.03183e-10% change) linmin: converged after 20 iterations. iteration 35: trace = 0.8293598597589514 (3.65786e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 0.8293598597571568 (2.16393e-10% change) linmin: converged after 9 iterations. iteration 37: trace = 0.8293598597560858 (1.29126e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8293598597555045 (7.00917e-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: 0.2077939510345459 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.848094024444396 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022449509 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479292816 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8364662672454637 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8346723545412165 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.83346065684933 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065788713 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793126654 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396838 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516981965 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.832085211523736 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855855 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853621 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258948 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470046999 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8320220385837216 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606003 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.832020605834479 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623707 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730949 (1.56353e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 0.8320201840423705 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8320201379422762 (5.54074e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8320200998172937 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733762 (3.10617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8320200654921733 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.832020061987265 (4.21253e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8320200597339968 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320200583654855 (1.64481e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8320200576761873 (8.28464e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8320200574763269 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161718 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338551 (9.8936e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320200571976764 (4.3483e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735473 (2.90005e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8320200571592891 (1.71369e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 0.8320200571525673 (8.07881e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8320200571484567 (4.94051e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461511 (2.77109e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8320200571449834 (1.40349e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443133 (8.05426e-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: 0.12850117683410645 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024677 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414625 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474636 at Vector3<0.5, 0.0, 0.0> to 0.3189924765685542 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839491 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651714 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.3071498340039351 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714732 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.3419647255076196 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.39155468442595526 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.349538537661238 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230443 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.3961388233101108 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591594 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 3.452206611633301 done /tmp/meepWcFBDI/test_anisotropic_2d_gap-0: 3.45s /tmp/meepWcFBDI/test_attribute_accessors-0 ======================== /tmp/meepWcFBDI/test_attribute_accessors-0: 0.00s /tmp/meepWcFBDI/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: 0.00017786026000976562 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.8014462501946 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800008751 (33.4999% change) linmin: converged after 6 iterations. iteration 3: trace = 18.80241114658167 (5.29053% change) linmin: converged after 7 iterations. iteration 4: trace = 18.64391851984282 (0.846506% change) linmin: converged after 8 iterations. iteration 5: trace = 18.63017324218211 (0.0737524% change) linmin: converged after 8 iterations. iteration 6: trace = 18.6291600353939 (0.00543867% change) linmin: converged after 5 iterations. iteration 7: trace = 18.62909545683694 (0.000346654% change) linmin: converged after 8 iterations. iteration 8: trace = 18.6290884846617 (3.74263e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 18.62908777893684 (3.7883e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 18.62908770030709 (4.2208e-07% change) linmin: converged after 6 iterations. iteration 11: trace = 18.6290876951265 (2.78091e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 18.62908769489128 (1.2627e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 18.62908769488902 (1.21099e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.0033719539642333984 total elapsed time for run: 0.0035903453826904297 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meepWcFBDI/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepWcFBDI/test_bragg-0: 0.01s /tmp/meepWcFBDI/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: 0.002893686294555664 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 18 iterations. iteration 1: trace = 17.30275056401062 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863666 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013444 (6.90297% change) linmin: converged after 7 iterations. iteration 4: trace = 11.08896486916441 (0.79001% change) linmin: converged after 7 iterations. iteration 5: trace = 11.08297661618287 (0.0540165% change) linmin: converged after 5 iterations. iteration 6: trace = 11.08249596583017 (0.00433693% change) linmin: converged after 8 iterations. iteration 7: trace = 11.08219937893421 (0.00267621% change) large trace change predicted (0.0167808%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038976857812 (0.0163303% change) large trace change predicted (0.0812499%) linmin: converged after 9 iterations. iteration 9: trace = 11.07305310957727 (0.0662349% change) linmin: converged after 8 iterations. iteration 10: trace = 11.07180721879512 (0.0112522% change) linmin: converged after 5 iterations. iteration 11: trace = 11.07168889845674 (0.00106867% change) linmin: converged after 5 iterations. iteration 12: trace = 11.07167967251344 (8.33292e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167907314435 (5.41353e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 11.07167888539665 (1.69575e-06% change) large trace change predicted (8.07061e-06%) linmin: converged after 6 iterations. iteration 15: trace = 11.07167799184629 (8.0706e-06% change) large trace change predicted (2.53317e-05%) linmin: converged after 5 iterations. iteration 16: trace = 11.0716751868834 (2.53346e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 11.0716745609165 (5.65377e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 11.07167451846614 (3.83414e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 11.07167451467674 (3.42261e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 11.07167451443791 (2.15707e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 11.07167451439678 (3.71551e-10% change) large trace change predicted (9.69785e-10%) linmin: converged after 3 iterations. iteration 22: trace = 11.07167451429157 (9.50263e-10% change) large trace change predicted (4.92966e-09%) linmin: converged after 3 iterations. iteration 23: trace = 11.07167451374508 (4.93586e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 11.07167451350822 (2.13939e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 11.07167451349715 (9.9923e-11% change) Finished solving for bands 2 to 8 after 25 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: 0.004813671112060547 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205793869866 (0.320422% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 54.2017%) iteration 2: trace = 11.02779545072926 (0.129249% change) iteration 3: trace = 11.02770667209143 (0.000805048% change) switching back to exact line minimization large trace change predicted (0.0933006%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806932935861 (0.0874303% change) linmin: converged after 7 iterations. iteration 5: trace = 11.01664588339096 (0.01292% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540534198435 (0.0112612% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01434100308328 (0.00966274% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352829466895 (0.00737891% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297526221192 (0.00502152% change) linmin: converged after 5 iterations. iteration 10: trace = 11.01260521502363 (0.00336016% change) linmin: converged after 5 iterations. iteration 11: trace = 11.01234752609954 (0.00233997% change) linmin: converged after 6 iterations. iteration 12: trace = 11.01215885812926 (0.00171325% change) linmin: converged after 6 iterations. iteration 13: trace = 11.01201419275226 (0.0013137% change) linmin: converged after 5 iterations. iteration 14: trace = 11.0118986833408 (0.00104895% change) linmin: converged after 5 iterations. iteration 15: trace = 11.01180311430075 (0.000867874% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172148757471 (0.000741269% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164971491889 (0.000651786% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158487888721 (0.000588797% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152479432657 (0.00054565% change) linmin: converged after 7 iterations. iteration 20: trace = 11.01146773751677 (0.000518157% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141227111394 (0.000503716% change) linmin: converged after 6 iterations. iteration 22: trace = 11.01135712712305 (0.000500791% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01130112530486 (0.000508584% change) linmin: converged after 6 iterations. iteration 24: trace = 11.01124311550733 (0.000526822% change) linmin: converged after 5 iterations. iteration 25: trace = 11.01118193682011 (0.000555604% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111639257797 (0.000595253% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104523886382 (0.000646201% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096718759072 (0.000708848% change) linmin: converged after 6 iterations. iteration 29: trace = 11.01088092871306 (0.000783394% change) linmin: converged after 6 iterations. iteration 30: trace = 11.0107851630937 (0.00086974% change) linmin: converged after 5 iterations. iteration 31: trace = 11.01067865281897 (0.000967331% change) linmin: converged after 6 iterations. iteration 32: trace = 11.01056027436562 (0.00107513% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042909082885 (0.00119144% change) linmin: converged after 6 iterations. iteration 34: trace = 11.01028438213167 (0.0013143% change) linmin: converged after 5 iterations. iteration 35: trace = 11.01012575003361 (0.00144077% change) linmin: converged after 11 iterations. iteration 36: trace = 11.00995310067744 (0.00156811% change) linmin: converged after 10 iterations. iteration 37: trace = 11.00976684084797 (0.00169175% change) linmin: converged after 7 iterations. iteration 38: trace = 11.00956782195207 (0.00180767% change) linmin: converged after 8 iterations. iteration 39: trace = 11.00935750639113 (0.00191032% change) linmin: converged after 7 iterations. iteration 40: trace = 11.00913805269041 (0.00199336% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891211948703 (0.00205225% change) linmin: converged after 6 iterations. iteration 42: trace = 11.00868302907584 (0.00208098% change) linmin: converged after 8 iterations. iteration 43: trace = 11.00845418498327 (0.00207878% change) linmin: converged after 6 iterations. iteration 44: trace = 11.0082288634682 (0.00204683% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800948032586 (0.00199292% change) linmin: converged after 7 iterations. iteration 46: trace = 11.00779805169835 (0.0019207% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759555400522 (0.0018396% change) linmin: converged after 7 iterations. iteration 48: trace = 11.00740235538342 (0.00175515% change) linmin: converged after 6 iterations. iteration 49: trace = 11.00721845442935 (0.00167072% change) linmin: converged after 5 iterations. iteration 50: trace = 11.00704341820571 (0.00159021% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687665760919 (0.00151505% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671759550665 (0.00144513% change) linmin: converged after 6 iterations. iteration 53: trace = 11.00656557193216 (0.0013812% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00642002912775 (0.00132234% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00628046534353 (0.00126803% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614641270309 (0.00121797% change) linmin: converged after 6 iterations. iteration 57: trace = 11.00601751766788 (0.00117113% change) linmin: converged after 5 iterations. iteration 58: trace = 11.00589345873876 (0.0011272% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577397273525 (0.00108566% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565885738997 (0.00104596% change) linmin: converged after 5 iterations. iteration 61: trace = 11.00554793915726 (0.00100783% change) linmin: converged after 9 iterations. iteration 62: trace = 11.00544107142036 (0.00097104% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533813187329 (0.000935356% change) linmin: converged after 5 iterations. iteration 64: trace = 11.0052390016318 (0.000900751% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514357009458 (0.00086715% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505173535233 (0.000834475% change) linmin: converged after 7 iterations. iteration 67: trace = 11.00496339318972 (0.000802745% change) linmin: converged after 5 iterations. iteration 68: trace = 11.00487842777363 (0.000772067% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479672841493 (0.000742395% change) resetting CG direction... large trace change predicted (0.115558%) linmin: converged after 6 iterations. iteration 70: trace = 10.9920204331813 (0.116165% change) linmin: converged after 6 iterations. iteration 71: trace = 10.9906218822864 (0.0127241% change) linmin: converged after 6 iterations. iteration 72: trace = 10.98948424872217 (0.0103515% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818656339612 (0.0118091% change) linmin: converged after 6 iterations. iteration 74: trace = 10.98802559588742 (0.00146492% change) linmin: converged after 6 iterations. iteration 75: trace = 10.98801515691552 (9.50032e-05% change) linmin: converged after 6 iterations. iteration 76: trace = 10.9880141270277 (9.37283e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 10.98801409638141 (2.78907e-07% change) linmin: converged after 5 iterations. iteration 78: trace = 10.98801409316273 (2.92927e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 10.98801409305154 (1.01191e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409306347 (1.08621e-10% change) large trace change predicted (7.26362e-10%) linmin: converged after 3 iterations. iteration 81: trace = 10.98801409297061 (8.45078e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409288025 (8.22429e-10% change) linmin: converged after 35 iterations. iteration 83: trace = 10.98801409291353 (3.02892e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 10.98801409303278 (1.08528e-09% change) linmin: converged after 7 iterations. iteration 85: trace = 10.98801409291102 (1.1081e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 10.98801409293177 (1.88871e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 10.98801409286466 (6.10812e-10% change) linmin: converged after 19 iterations. iteration 88: trace = 10.98801409294302 (7.13145e-10% change) linmin: converged after 12 iterations. iteration 89: trace = 10.98801409293512 (7.18431e-11% change) Finished solving for bands 1 to 8 after 89 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: 0.020487546920776367 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046738741 (0.00793521% change) linmin: converged after 3 iterations. iteration 2: trace = 10.90359830858333 (0.00148719% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960454564 (0.000813533% change) linmin: converged after 3 iterations. iteration 4: trace = 10.90345230356217 (0.000525529% change) linmin: converged after 3 iterations. iteration 5: trace = 10.90344655289565 (5.27417e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 10.90344608445383 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27772e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.90344604735269 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730441 (1.08991e-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: 0.0021486282348632812 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743389 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048798 (0.000844025% change) linmin: converged after 5 iterations. iteration 3: trace = 10.82863914564312 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430638 (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 = 10.82863033630218 (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 (4.70658e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.82863032375329 (1.35548e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.0022115707397460938 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 5 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 4 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17424e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.61437e-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: 0.0019905567169189453 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 4 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.0735e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.69883e-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: 0.0019185543060302734 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 4 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (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 (1.40258e-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: 0.0019404888153076172 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.62893239530691 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72511e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.25063e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.75184e-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: 0.0019164085388183594 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597598 (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 = 10.60395754101095 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57752e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03786e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85091e-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: 0.0017745494842529297 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 5 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377234 (1.56029e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377203 (2.88539e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.0017294883728027344 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 = 10.58398046493153 (1.56371e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34972e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.49373e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.001737356185913086 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820295 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.3064030262308435 at Vector3<0.5, 0.0, 0.0> to 0.468774852586742 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501317185 at Vector3<0.0, 0.0, 0.0> to 0.731650442654164 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437128 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648147136 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025864 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966218 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994648734 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910497 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.758168320848364 at Vector3<0.5, 0.0, 0.0> to 1.9999072006788767 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820295) to band 2 (0.3064030262308435), 44.54642128428587% Gap from band 2 (0.468774852586742) to band 3 (0.5466257501317185), 15.33402626245283% Gap from band 3 (0.731650442654164) to band 4 (0.7842615905093817), 6.941187444158468% Gap from band 4 (0.9893486155437128) to band 5 (1.0240548648147136), 3.4475205401773166% Gap from band 5 (1.2440980042025864) to band 6 (1.266656686185507), 1.7969642410134226% Gap from band 6 (1.4970379696966218) to band 7 (1.5115800994648734), 0.966698293632494% Gap from band 7 (1.7488359039910497) to band 8 (1.758168320848364), 0.5322158890607936% total elapsed time for run: 0.04587268829345703 done /tmp/meepWcFBDI/test_bragg_sine-0: 0.05s /tmp/meepWcFBDI/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: 0.002295255661010742 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20144224166870117 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8567488193511963 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.1381993293762207 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12797808647155762 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.15178155899047852 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2094869613647461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17368674278259277 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14774346351623535 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12716126441955566 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12278294563293457 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12218070030212402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09662914276123047 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11277985572814941 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1528463363647461 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1792757511138916 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.36011791229248047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.2842483520507812 done Fixing h-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepWcFBDI/test_compute_field_energy-0: 3.29s /tmp/meepWcFBDI/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: 0.002303600311279297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20247650146484375 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6303014755249023 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13863086700439453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12794923782348633 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14825153350830078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20998454093933105 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17401933670043945 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14801025390625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12725567817687988 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12203311920166016 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12151098251342773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09581828117370605 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1112680435180664 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.17127084732055664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17793059349060059 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3559572696685791 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0660064220428467 done /tmp/meepWcFBDI/test_compute_group_velocity-0: 3.07s /tmp/meepWcFBDI/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: 0.0023589134216308594 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20138049125671387 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6254575252532959 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13726377487182617 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12835097312927246 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14705181121826172 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2082538604736328 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17275357246398926 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.15606188774108887 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12714934349060059 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12215971946716309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1216740608215332 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09582877159118652 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11210942268371582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1531815528869629 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1791212558746338 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3593430519104004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.050529718399048 done Fixing h-field (band 8) phase by -1 + 2.59056e-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/meepWcFBDI/test_compute_integrals-0: 3.05s /tmp/meepWcFBDI/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: 0.052525997161865234 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 = 7.793810193900217 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644456082067 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444206604576 (26.2752% change) linmin: converged after 5 iterations. iteration 4: trace = 1.145863356335911 (7.11868% change) linmin: converged after 5 iterations. iteration 5: trace = 1.108732462454658 (3.2938% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242886521478 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567884151564 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571236413302 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681014508866 (0.267334% change) linmin: converged after 5 iterations. iteration 10: trace = 1.077841945058926 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.076589703028564 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741283474247 (0.0788373% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075331988560623 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088166578151 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.07499166558747 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.07494784250725 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928259073845 (0.00182182% change) linmin: converged after 4 iterations. iteration 18: trace = 1.074920006164794 (0.000767767% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074915798011062 (0.000391486% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913880190886 (0.000178416% change) linmin: converged after 6 iterations. iteration 21: trace = 1.074912780065781 (0.000102345% change) linmin: converged after 6 iterations. iteration 22: trace = 1.074912118363626 (6.15587e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.0749116653868 (4.21408e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911168264077 (4.62478e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910333133891 (7.7693e-05% change) large trace change predicted (0.000205036%) linmin: converged after 4 iterations. iteration 26: trace = 1.074908129225225 (0.000205032% change) large trace change predicted (0.000513677%) linmin: converged after 3 iterations. iteration 27: trace = 1.074902610737153 (0.000513393% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894256821218 (0.000777182% change) linmin: converged after 9 iterations. iteration 29: trace = 1.074885541175946 (0.000810841% change) linmin: converged after 5 iterations. iteration 30: trace = 1.074878733006942 (0.000633387% change) linmin: converged after 5 iterations. iteration 31: trace = 1.074871961044702 (0.000630023% change) linmin: converged after 5 iterations. iteration 32: trace = 1.074864272363823 (0.000715314% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074857317584071 (0.00064704% change) linmin: converged after 5 iterations. iteration 34: trace = 1.074852593896119 (0.000439472% change) linmin: converged after 14 iterations. iteration 35: trace = 1.074850513106874 (0.000193589% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849689739638 (7.6603e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849383359968 (2.85044e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.074849255696178 (1.18774e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.074849184709471 (6.60434e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 1.074849148477066 (3.37093e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849132283572 (1.50658e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 1.074849125759868 (6.06941e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.074849122978247 (2.58792e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.074849121411293 (1.45784e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 1.074849120530023 (8.19901e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 1.074849120079119 (4.19504e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849119850442 (2.12753e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849119728562 (1.13393e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 1.074849119651273 (7.19073e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849119606279 (4.18604e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.074849119585614 (1.92258e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849119578284 (6.8201e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849119576087 (2.04392e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074849119575324 (7.09403e-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: 0.5725822448730469 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858877491228 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482631508391 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517233384316 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.072267300749104 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198666721943 (0.00640104% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184596898204 (0.00131225% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072176795790029 (0.000727593% change) linmin: converged after 5 iterations. iteration 8: trace = 1.072174571168329 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173258169875 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172775066249 (4.50584e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.072172489468611 (2.66373e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.072172075778383 (3.85843e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072171260114168 (7.60759e-05% change) large trace change predicted (0.000180556%) linmin: converged after 3 iterations. iteration 14: trace = 1.072169324300164 (0.000180551% change) linmin: converged after 6 iterations. iteration 15: trace = 1.072167390322724 (0.00018038% change) linmin: converged after 9 iterations. iteration 16: trace = 1.072166438409355 (8.87841e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 1.072165952399033 (4.53298e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165664446132 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165390507783 (2.555e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.07216518988446 (1.8712e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.072165085909694 (9.69764e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.072165043960713 (3.91255e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165032808916 (1.04012e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165030176414 (2.45531e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165029539319 (5.94213e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165029391333 (1.38026e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165029335198 (5.23559e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072165029306822 (2.64663e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165029289835 (1.58441e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 1.072165029279284 (9.84053e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.072165029273744 (5.16671e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.07216502927099 (2.56886e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072165029269876 (1.03881e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072165029269352 (4.88961e-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: 0.35994625091552734 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.06844044924339 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480790447311 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774650679252 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585950359948 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530736772127 (0.00518166% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516103801959 (0.00137331% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506853699617 (0.000868137% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504367760826 (0.000233311% change) linmin: converged after 5 iterations. iteration 9: trace = 1.06550305652056 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502555170847 (4.70529e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.065502140776161 (3.8892e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.06550153430426 (5.69189e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500861659228 (6.31294e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065500230973319 (5.91915e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499892301216 (3.17853e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499673893056 (2.04982e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499489995126 (1.72593e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.065499366794621 (1.15627e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499298763569 (6.3849e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499277285572 (2.01577e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499271613191 (5.32368e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499270086916 (1.43245e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499269742414 (3.23324e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499269660007 (7.73408e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499269634792 (2.36653e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499269624105 (1.00296e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.065499269616044 (7.56536e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499269611452 (4.31002e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.065499269609788 (1.56213e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.065499269609328 (4.31586e-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: 0.3798840045928955 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540488958481 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983533353869 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.05750207435753 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358543415594 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314675818146 (0.00414888% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300860432745 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292707915716 (0.000771072% change) linmin: converged after 3 iterations. iteration 8: trace = 1.057291043325099 (0.000157439% change) linmin: converged after 5 iterations. iteration 9: trace = 1.05729039416448 (6.13985e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290205657161 (1.78293e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 1.057290096240544 (1.03488e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289943147041 (1.44798e-05% change) linmin: converged after 6 iterations. iteration 13: trace = 1.057289773479506 (1.60474e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.057289639117576 (1.27081e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.057289588874062 (4.75211e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289574913449 (1.32042e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289569910643 (4.73173e-07% change) linmin: converged after 15 iterations. iteration 18: trace = 1.057289567989167 (1.81736e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289566886313 (1.0431e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289566274999 (5.7819e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.057289566041039 (2.21283e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.05728956595814 (7.84075e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289565927152 (2.93084e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 1.057289565905835 (2.01617e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289565885101 (1.96112e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289565870861 (1.34686e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289565865017 (5.52712e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289565863584 (1.35479e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.057289565863228 (3.36861e-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: 0.3051571846008301 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100634558939 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691271295129 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314884642353 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185418678596 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147896493968 (0.00357638% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135839716138 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129456762608 (0.000608403% change) linmin: converged after 5 iterations. iteration 8: trace = 1.049128232838077 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127777018364 (4.34475e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127662078088 (1.09558e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 1.049127619932931 (4.01716e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 1.049127580931271 (3.71753e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 1.049127539563738 (3.94304e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.049127502512996 (3.53158e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127488191415 (1.36509e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127484907232 (3.13039e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.04912748399825 (8.66418e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.049127483681609 (3.01814e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 1.049127483387113 (2.80705e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127482915359 (4.49663e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127482464141 (4.30089e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127482245677 (2.08235e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.049127482182577 (6.01448e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 1.049127482162275 (1.93515e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127482154267 (7.63305e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127482150964 (3.14846e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.049127482149328 (1.55963e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127482148509 (7.79919e-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: 0.29767632484436035 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04345920376196 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988329619391 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637903833071 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150009496022 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466525518901 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456819623163 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.0414521163942 (0.000451602% change) linmin: converged after 4 iterations. iteration 8: trace = 1.041451100116492 (9.75828e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450674981152 (4.08214e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.04145057004066 (1.00764e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 1.041450537728439 (3.10262e-06% change) linmin: converged after 17 iterations. iteration 12: trace = 1.041450513733061 (2.30403e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450481232557 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.041450422099674 (5.67794e-06% change) linmin: converged after 14 iterations. iteration 15: trace = 1.04145037120019 (4.88737e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450340028756 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450305119637 (3.35197e-06% change) linmin: converged after 29 iterations. iteration 18: trace = 1.041450242674882 (5.99594e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450129438455 (1.0873e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.041450047369909 (7.88022e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450019496857 (2.67637e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450011853053 (7.33958e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450009942366 (1.83464e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450009220755 (6.9289e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450008793285 (4.10457e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450008300193 (4.73467e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450007429621 (8.35923e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.04145000576844 (1.59507e-07% change) large trace change predicted (4.18992e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450001404845 (4.18992e-07% change) large trace change predicted (1.19677e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041449988941201 (1.19676e-06% change) large trace change predicted (3.27866e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.041449954797377 (3.27849e-06% change) large trace change predicted (7.61105e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449875552581 (7.60908e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 1.041449748816325 (1.21692e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 1.041449604414926 (1.38654e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.041449505498229 (9.49798e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 1.041449469921044 (3.41612e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 1.04144945973354 (9.78204e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.041449457094817 (2.5337e-07% change) linmin: converged after 19 iterations. iteration 39: trace = 1.041449456298178 (7.64932e-08% change) linmin: converged after 8 iterations. iteration 40: trace = 1.0414494559967 (2.89479e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 1.041449455898568 (9.42265e-09% change) linmin: converged after 5 iterations. iteration 42: trace = 1.041449455869503 (2.79086e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.041449455861978 (7.22559e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 1.041449455859763 (2.12674e-10% change) linmin: converged after 2 iterations. iteration 45: trace = 1.041449455858893 (8.35346e-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: 0.4758884906768799 Fixing d-field (band 1) phase by 0.997721 + 0.0674732i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepWcFBDI/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 + 0.0674732i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepWcFBDI/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 0.0674732 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepWcFBDI/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 + 0.0674732i; max ampl. = 7.97913 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepWcFBDI/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 + -0.0674732i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435371, 0.32605 Outputting /tmp/meepWcFBDI/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435371, 0.32605 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665336374525 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261617666537 (0.81159% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058137673547 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314440319264 (0.658766% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895395122926 (0.33566% change) linmin: converged after 4 iterations. iteration 6: trace = 1.01385066968917 (0.299863% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826516593781 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456610571 (0.0365288% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302634552067 (0.0152093% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263451790417 (0.00387073% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248733422204 (0.00145402% change) linmin: converged after 4 iterations. iteration 12: trace = 1.01224330599195 (0.000536177% change) linmin: converged after 4 iterations. iteration 13: trace = 1.0122392262277 (0.000403043% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234273617521 (0.000489274% change) linmin: converged after 5 iterations. iteration 15: trace = 1.01222616345579 (0.000801217% change) linmin: converged after 6 iterations. iteration 16: trace = 1.012212329296684 (0.00136672% change) linmin: converged after 5 iterations. iteration 17: trace = 1.012198486698014 (0.00136757% change) linmin: converged after 4 iterations. iteration 18: trace = 1.012188198107647 (0.00101646% change) linmin: converged after 4 iterations. iteration 19: trace = 1.012182972811491 (0.000516239% change) linmin: converged after 12 iterations. iteration 20: trace = 1.012180425734699 (0.000251642% change) linmin: converged after 5 iterations. iteration 21: trace = 1.012179044206532 (0.00013649% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178430806273 (6.0602e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.01217813229541 (2.94919e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178002602408 (1.28133e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 1.012177942009695 (5.98637e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 1.012177908412595 (3.31929e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177893396991 (1.48349e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.01217788570192 (7.60249e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177882010705 (3.6468e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177880481623 (1.51069e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177879942532 (5.32604e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177879796422 (1.44352e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177879756214 (3.9725e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177879741719 (1.432e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 1.01217787973561 (6.03627e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.01217787973259 (2.98304e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.012177879731033 (1.5389e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.01217787972981 (1.20787e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.012177879727927 (1.86028e-10% change) large trace change predicted (3.79253e-10%) linmin: converged after 5 iterations. iteration 40: trace = 1.012177879724092 (3.78879e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.012177879718548 (5.47709e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.012177879715024 (3.48189e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.012177879713532 (1.47419e-10% change) linmin: converged after 2 iterations. iteration 44: trace = 1.012177879712723 (7.98957e-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: 0.4683561325073242 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573011663384 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.986660746769864 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151293799236 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.985647295015584 (0.0271698% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722805282676 (0.00761097% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592444286382 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531452450651 (0.000618857% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520577407344 (0.000110345% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9855516254488477 (4.38629e-05% change) linmin: converged after 17 iterations. iteration 10: trace = 0.9855514394710507 (1.88704e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.985551317442814 (1.23817e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 0.9855511931454581 (1.2612e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 0.9855510454045928 (1.49907e-05% change) large trace change predicted (3.62501e-05%) linmin: converged after 4 iterations. iteration 14: trace = 0.985550688146554 (3.62496e-05% change) large trace change predicted (0.000117789%) linmin: converged after 3 iterations. iteration 15: trace = 0.9855495275254766 (0.000117764% change) large trace change predicted (0.0016617%) linmin: converged after 5 iterations. iteration 16: trace = 0.9855348706655394 (0.00148719% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854854824655777 (0.00501143% change) linmin: converged after 7 iterations. iteration 18: trace = 0.9854692145281034 (0.00165077% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542074763504 (0.00152284% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392450017393 (0.00151834% change) linmin: converged after 5 iterations. iteration 21: trace = 0.9854239546067575 (0.00155164% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9854083526702442 (0.00158328% change) linmin: converged after 8 iterations. iteration 23: trace = 0.9853925595773912 (0.00160271% change) linmin: converged after 5 iterations. iteration 24: trace = 0.9853765591516375 (0.00162377% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601563705086 (0.00166463% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431371448595 (0.00172722% change) linmin: converged after 4 iterations. iteration 27: trace = 0.9853254911143754 (0.00179087% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075529291685 (0.00182055% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899405126213 (0.00178752% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852732954865822 (0.00168937% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580283971862 (0.00154954% change) linmin: converged after 4 iterations. iteration 32: trace = 0.9852442502766467 (0.00139844% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318594136045 (0.00125765% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206595701993 (0.00113678% change) linmin: converged after 5 iterations. iteration 35: trace = 0.9852104420048562 (0.00103709% change) linmin: converged after 3 iterations. iteration 36: trace = 0.985201025642834 (0.000955776% change) linmin: converged after 5 iterations. iteration 37: trace = 0.9851922701337829 (0.000888707% change) linmin: converged after 4 iterations. iteration 38: trace = 0.9851840750749735 (0.000831827% change) linmin: converged after 5 iterations. iteration 39: trace = 0.9851763732657666 (0.000781767% change) linmin: converged after 7 iterations. iteration 40: trace = 0.9851691220436094 (0.000736036% change) linmin: converged after 4 iterations. iteration 41: trace = 0.985162294757707 (0.000693009% change) linmin: converged after 5 iterations. iteration 42: trace = 0.9851558734595531 (0.000651803% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498433346457 (0.0006121% change) linmin: converged after 6 iterations. iteration 44: trace = 0.9851441890028618 (0.000573958% change) linmin: converged after 5 iterations. iteration 45: trace = 0.985138892518293 (0.000537637% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339327132084 (0.000503464% change) linmin: converged after 5 iterations. iteration 47: trace = 0.9851292854625135 (0.000471739% change) linmin: converged after 4 iterations. iteration 48: trace = 0.9851249244711706 (0.000442683% change) linmin: converged after 4 iterations. iteration 49: trace = 0.9851208222702669 (0.000416415% change) linmin: converged after 8 iterations. iteration 50: trace = 0.985116951208229 (0.000392954% change) linmin: converged after 13 iterations. iteration 51: trace = 0.98511328432653 (0.000372229% change) linmin: converged after 4 iterations. iteration 52: trace = 0.9851097960021158 (0.000354105% change) linmin: converged after 3 iterations. iteration 53: trace = 0.9851064625054724 (0.000338389% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032623080699 (0.000324859% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001762791698 (0.00031327% change) linmin: converged after 8 iterations. iteration 56: trace = 0.9850971877787257 (0.000303371% change) linmin: converged after 4 iterations. iteration 57: trace = 0.985094282667339 (0.000294907% change) linmin: converged after 6 iterations. iteration 58: trace = 0.9850914492360674 (0.000287631% change) linmin: converged after 5 iterations. iteration 59: trace = 0.9850886781196647 (0.000281306% change) linmin: converged after 6 iterations. iteration 60: trace = 0.9850859621160905 (0.000275712% change) linmin: converged after 5 iterations. iteration 61: trace = 0.9850832960235618 (0.000270646% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806764031761 (0.000265929% change) linmin: converged after 3 iterations. iteration 63: trace = 0.9850781013350172 (0.000261407% change) linmin: converged after 10 iterations. iteration 64: trace = 0.9850755701512475 (0.000256953% change) linmin: converged after 5 iterations. iteration 65: trace = 0.9850730831623489 (0.000252467% change) linmin: converged after 5 iterations. iteration 66: trace = 0.9850706413727273 (0.000247879% change) linmin: converged after 8 iterations. iteration 67: trace = 0.9850682462225281 (0.000243145% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658993503312 (0.000238245% change) linmin: converged after 5 iterations. iteration 69: trace = 0.9850636023763296 (0.00023318% change) resetting CG direction... large trace change predicted (0.0412917%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563114308173 (0.0413552% change) linmin: converged after 4 iterations. iteration 71: trace = 0.984460168598885 (0.0199219% change) linmin: converged after 6 iterations. iteration 72: trace = 0.9843700879592727 (0.00915068% change) linmin: converged after 4 iterations. iteration 73: trace = 0.9843454523134126 (0.00250271% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309710066001 (0.00147117% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269326837665 (0.000410262% change) linmin: converged after 3 iterations. iteration 76: trace = 0.9843259220929467 (0.000102668% change) linmin: converged after 4 iterations. iteration 77: trace = 0.9843252567722243 (6.75915e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 0.9843249550089868 (3.06569e-05% change) linmin: converged after 15 iterations. iteration 79: trace = 0.9843248234364583 (1.33668e-05% change) linmin: converged after 2 iterations. iteration 80: trace = 0.9843247606432624 (6.37932e-06% change) linmin: converged after 3 iterations. iteration 81: trace = 0.9843247298419124 (3.12919e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247203912859 (9.60113e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247164414103 (4.01278e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 0.9843247141913675 (2.28587e-07% change) linmin: converged after 3 iterations. iteration 85: trace = 0.9843247104714837 (3.77912e-07% change) large trace change predicted (8.16652e-07%) linmin: converged after 3 iterations. iteration 86: trace = 0.9843247024329546 (8.16654e-07% change) large trace change predicted (1.83651e-06%) linmin: converged after 19 iterations. iteration 87: trace = 0.9843246843559331 (1.83649e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 0.9843246531493186 (3.17036e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 0.9843246170227707 (3.67019e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.984324602954188 (1.42926e-06% change) linmin: converged after 7 iterations. iteration 91: trace = 0.9843245982037848 (4.82605e-07% change) linmin: converged after 2 iterations. iteration 92: trace = 0.9843245967427343 (1.48432e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245963853954 (3.6303e-08% change) linmin: converged after 12 iterations. iteration 94: trace = 0.984324596265392 (1.21914e-08% change) linmin: converged after 9 iterations. iteration 95: trace = 0.9843245962174372 (4.87185e-09% change) linmin: converged after 2 iterations. iteration 96: trace = 0.9843245962044181 (1.32264e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 0.9843245962017974 (2.66253e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 0.9843245962009872 (8.23031e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 1.017756700515747 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769115956955 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027619733004 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165675653985 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432853088811 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534739407086 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044700301017 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786045128057 (0.00270082% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698740235308 (0.000911635% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9576629093234517 (0.000727257% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9576595991280082 (0.000345654% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578381136494 (0.000183887% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568083583997 (0.000107529% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563694051724 (4.58362e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 0.9576561594245921 (2.19265e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560788272672 (8.4161e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576559988830978 (8.3479e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 0.9576558811945142 (1.22892e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9576557573592828 (1.29311e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556866000593 (7.3888e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556635737805 (2.40444e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556570784972 (6.78248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556553345843 (1.82102e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556549607651 (3.90348e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9576556548695184 (9.52813e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.957655654848026 (2.24428e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556548432302 (5.00777e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556548418425 (1.44914e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.9576556548415067 (3.50576e-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: 0.2950403690338135 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336868571475 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867572357562 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818712466222 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709052979143 (0.0648807% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784861405206 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437638095154 (0.00368931% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282161447333 (0.00165201% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9411228808173043 (0.000566909% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9411177187706123 (0.0005485% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9411142157644994 (0.000372218% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9411125265813123 (0.000179488% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116663387035 (9.1407e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114114546517 (2.70833e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113088761033 (1.08997e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112803634829 (3.02968e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112695100216 (1.15326e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 0.9411112639028597 (5.95802e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9411112607483774 (3.35187e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112583899556 (2.506e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112563740813 (2.14201e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112549471288 (1.51624e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112543065032 (6.80712e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112541347533 (1.82497e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112540916431 (4.58077e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9411112540812582 (1.10347e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9411112540791214 (2.27044e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9411112540785541 (6.02823e-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: 0.28540682792663574 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496217747265 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796176371957 (0.53901% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721006143688 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917792681298 (0.0833337% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711619339386 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390425695422 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282026243957 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9357260867493095 (0.000226121% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251423289067 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245114800887 (6.74182e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 0.9357241147727744 (4.23957e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9357237644235006 (3.74415e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236131736152 (1.61639e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235456810062 (7.21288e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235270277603 (1.99346e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235217099229 (5.68313e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235197028292 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235190208001 (7.28879e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235188041577 (2.31524e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235187427799 (6.55939e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235187259229 (1.8015e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235187204458 (5.85329e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235187183375 (2.25314e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235187173297 (1.07697e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9357235187165454 (8.38252e-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: 0.2682182788848877 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9531656150813048 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651827170019 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975781961265 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458502981300723 (0.0261403% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9458090076245459 (0.00436553% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956282102816 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917097285184 (0.000414306% change) linmin: converged after 3 iterations. iteration 8: trace = 0.9457908240965982 (9.36393e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904786297399 (3.65268e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 0.9457903691239353 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903240260265 (4.76828e-06% change) linmin: converged after 9 iterations. iteration 12: trace = 0.945790305096988 (2.0014e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457902960635176 (9.55124e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902890675436 (7.39696e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902842128332 (5.13297e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902808661035 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902794951578 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902791090873 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902790123064 (1.02328e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9457902789916082 (2.18846e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902789873419 (4.51078e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9457902789863374 (1.06211e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9457902789861149 (2.35241e-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: 0.24517393112182617 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9838330519621639 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.976769819691292 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9759908276643106 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521073547147 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439169685085 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879016811218 (0.0057433% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720309187427 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675381874095 (0.000460665% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661102588551 (0.000146414% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657911754317 (3.27176e-05% change) linmin: converged after 11 iterations. iteration 11: trace = 0.9752656666659352 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265591551592 (7.70194e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 0.9752655128329325 (8.07151e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 0.975265451499598 (6.28889e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654292610943 (2.28025e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 0.9752654217794811 (7.67136e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654199560529 (1.86967e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654195136611 (4.53612e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654193867074 (1.30173e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9752654193516733 (3.59226e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.975265419341192 (1.07471e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 0.9752654193378197 (3.45783e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 0.975265419336743 (1.104e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654193362962 (4.58198e-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: 0.25753140449523926 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310448901625 (2.74382% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001386031752 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944585853844 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.01919667193734 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718067175096 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308264063558 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176574322687 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122370610114 (0.00532375% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108130432827 (0.00139868% change) linmin: converged after 4 iterations. iteration 10: trace = 1.018104677294629 (0.000339173% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103713552751 (9.46604e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103460217586 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103326712053 (1.31132e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103243353799 (8.1876e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 1.018103193572897 (4.88957e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 1.018103164478413 (2.85771e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103150274865 (1.3951e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.018103141268754 (8.84597e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103136158514 (5.01937e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103133441894 (2.66831e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.018103132345087 (1.0773e-07% change) linmin: converged after 9 iterations. iteration 22: trace = 1.01810313193169 (4.06046e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.018103131780392 (1.48608e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.018103131738272 (4.13709e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103131725276 (1.2765e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.018103131720712 (4.48297e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.018103131718665 (2.01063e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 1.018103131717623 (1.02396e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.01810313171719 (4.24634e-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: 0.3063199520111084 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 13 iterations. iteration 1: trace = 1.077079205727435 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262016335661 (1.00938% change) linmin: converged after 10 iterations. iteration 3: trace = 1.059824252293591 (0.605598% change) linmin: converged after 6 iterations. iteration 4: trace = 1.056454432476961 (0.318467% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117381355766 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.053973313062651 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442511603636 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206366351469 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116204748344 (0.00856104% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071754544678 (0.00422092% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056088728844 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047207707047 (0.000843361% change) linmin: converged after 4 iterations. iteration 13: trace = 1.053042124443097 (0.000482721% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053037926058496 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035328081633 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034064873998 (0.000119959% change) linmin: converged after 6 iterations. iteration 17: trace = 1.053033580874597 (4.59624e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 1.053033347089511 (2.22011e-05% change) linmin: converged after 10 iterations. iteration 19: trace = 1.05303320556435 (1.34398e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.053033121120217 (8.01913e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033077796069 (4.11422e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033054894276 (2.17484e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053033041505858 (1.27141e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033035025214 (6.15426e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 1.05303303186819 (2.99803e-07% change) linmin: converged after 6 iterations. iteration 26: trace = 1.05303303043085 (1.36495e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.05303302965153 (7.40072e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 1.05303302913377 (4.91685e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.053033028749708 (3.64719e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 1.053033028518106 (2.19938e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 1.053033028407852 (1.04701e-08% change) linmin: converged after 9 iterations. iteration 32: trace = 1.05303302836747 (3.83482e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.05303302835377 (1.30104e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 1.053033028348346 (5.15115e-10% change) linmin: converged after 7 iterations. iteration 35: trace = 1.053033028345419 (2.77958e-10% change) linmin: converged after 9 iterations. iteration 36: trace = 1.053033028342792 (2.49408e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.053033028340542 (2.1373e-10% change) linmin: converged after 10 iterations. iteration 38: trace = 1.05303302833939 (1.09353e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.053033028339033 (3.39699e-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: 0.41376662254333496 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418482507619 (26.786% change) linmin: converged after 7 iterations. iteration 2: trace = 1.086199362398418 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433829099499 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916409421389 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955164450533 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404283279089 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591390896442 (0.0762565% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169273345685 (0.0396213% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947489289189 (0.0208237% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821076492071 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775763513888 (0.00425555% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759846116165 (0.00149492% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754327368728 (0.00051831% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752569927114 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751917951674 (6.12326e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.064751700140796 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751625238695 (7.0347e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.06475159252905 (3.07204e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.064751578209754 (1.34485e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751572144549 (5.69636e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751568831459 (3.11161e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751566541355 (2.15083e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751565192807 (1.26654e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751564628843 (5.29668e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751564463411 (1.55372e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.064751564421615 (3.92539e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064751564408165 (1.26318e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 1.064751564403683 (4.20961e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.064751564401951 (1.62704e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064751564401208 (6.97362e-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: 0.15769100189208984 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 8 iterations. iteration 1: trace = 1.083139114113199 (4.15252% change) linmin: converged after 8 iterations. iteration 2: trace = 1.067759456853275 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743043379748 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821346447863 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194279844726 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515694768327 (0.0643297% change) linmin: converged after 4 iterations. iteration 7: trace = 1.05419934573588 (0.030004% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015013277558 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945629715721 (0.006583% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916449325966 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905495309142 (0.00103937% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902305544764 (0.000302662% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901397215188 (8.61873e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901177309927 (2.08658e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901081647054 (9.07703e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901029253654 (4.97138e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901003311531 (2.46153e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053900989221599 (1.33693e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900981543818 (7.28511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900976244452 (5.02833e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900974046946 (2.08512e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900973448214 (5.68111e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900973290284 (1.49852e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 1.053900973248863 (3.93031e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900973234255 (1.38601e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.053900973227505 (6.40535e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.053900973224386 (2.95975e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.053900973222719 (1.58164e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.0539009732219 (7.77229e-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: 0.31066083908081055 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595395194014 (3.90048% change) linmin: converged after 9 iterations. iteration 2: trace = 1.055450122349578 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399467289984 (0.289457% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047415402265 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891443453333 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820031587671 (0.00679559% change) linmin: converged after 4 iterations. iteration 7: trace = 1.05077638111321 (0.00415403% change) linmin: converged after 5 iterations. iteration 8: trace = 1.050735510471143 (0.00388964% change) linmin: converged after 4 iterations. iteration 9: trace = 1.050712398341728 (0.00219964% change) linmin: converged after 4 iterations. iteration 10: trace = 1.050703636868211 (0.000833864% change) linmin: converged after 4 iterations. iteration 11: trace = 1.050700519618639 (0.000296683% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699524441508 (9.47156e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.050699168817099 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699059249865 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699018520382 (3.87642e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050698996689228 (2.07777e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898163411 (1.43287e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698968731043 (1.22805e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698959112672 (9.15426e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05069895203025 (6.74068e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698948425255 (3.43105e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.05069894683251 (1.51589e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698946262337 (5.42661e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698946036782 (2.14671e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698945876893 (1.52174e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.05069894573741 (1.32753e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.050698945648407 (8.47086e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.050698945613728 (3.30049e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.050698945603535 (9.70154e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698945599597 (3.74752e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 1.050698945597888 (1.62703e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.05069894559715 (7.02251e-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: 0.3392984867095947 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540491488 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010309138989 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219986212568 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124534357556 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.074888803936088 (0.0219283% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611204146485 (0.0258292% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337614214854 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074133131825219 (0.0190352% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051055972108 (0.00764142% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029413826275 (0.00201502% change) linmin: converged after 4 iterations. iteration 11: trace = 1.07402013494797 (0.000863935% change) linmin: converged after 4 iterations. iteration 12: trace = 1.07401680869216 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015079432868 (0.000161009% change) linmin: converged after 5 iterations. iteration 14: trace = 1.07401421468417 (8.05155e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 1.074013414428971 (7.45107e-05% change) large trace change predicted (0.000149791%) linmin: converged after 5 iterations. iteration 16: trace = 1.07401180558325 (0.000149798% change) large trace change predicted (0.000490809%) linmin: converged after 4 iterations. iteration 17: trace = 1.074006536353524 (0.000490613% change) large trace change predicted (0.00905593%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941716007634 (0.00603556% change) large trace change predicted (0.0315342%) linmin: converged after 10 iterations. iteration 19: trace = 1.073871055562791 (0.00657976% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836866779619 (0.00318375% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810054576948 (0.00249689% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786934041097 (0.00215315% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765956608973 (0.00195361% change) linmin: converged after 5 iterations. iteration 24: trace = 1.073746105614331 (0.00184874% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726556225381 (0.00182069% change) linmin: converged after 4 iterations. iteration 26: trace = 1.073706660157449 (0.00185301% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686056528893 (0.00191894% change) linmin: converged after 4 iterations. iteration 28: trace = 1.073664817105975 (0.0019782% change) linmin: converged after 4 iterations. iteration 29: trace = 1.073643498387479 (0.00198562% change) linmin: converged after 4 iterations. iteration 30: trace = 1.07362294500667 (0.00191438% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603858311101 (0.0017778% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586436346256 (0.00162277% change) linmin: converged after 5 iterations. iteration 33: trace = 1.07357035194296 (0.0014982% change) linmin: converged after 4 iterations. iteration 34: trace = 1.073554978978561 (0.00143196% change) linmin: converged after 5 iterations. iteration 35: trace = 1.073539644196281 (0.00142842% change) linmin: converged after 4 iterations. iteration 36: trace = 1.073523815918448 (0.00147441% change) linmin: converged after 4 iterations. iteration 37: trace = 1.073507234756391 (0.00154457% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489965873022 (0.00160865% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472316814 (0.0016441% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454624369539 (0.00164816% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437030263173 (0.00163903% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419380385409 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401269592257 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382166550455 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.073361560565004 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339103294591 (0.00209226% change) linmin: converged after 4 iterations. iteration 47: trace = 1.07331471660414 (0.00227207% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288623105229 (0.00243114% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261273644607 (0.00254823% change) linmin: converged after 4 iterations. iteration 50: trace = 1.07323320234372 (0.00261555% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204884950531 (0.00263855% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176664059345 (0.00262962% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148752151182 (0.0026009% change) linmin: converged after 5 iterations. iteration 54: trace = 1.07312128151333 (0.00255985% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094361813457 (0.00250857% change) linmin: converged after 4 iterations. iteration 56: trace = 1.073068119258809 (0.00244553% change) linmin: converged after 4 iterations. iteration 57: trace = 1.073042708215594 (0.0023681% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018298927953 (0.0022748% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995052147219 (0.00216651% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973093200093 (0.00204653% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952495088873 (0.00191974% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933274643997 (0.00179138% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915400267437 (0.00166595% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898806472626 (0.00154662% change) linmin: converged after 5 iterations. iteration 65: trace = 1.072883409758588 (0.00143507% change) linmin: converged after 4 iterations. iteration 66: trace = 1.07286912159121 (0.00133176% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855856265151 (0.00123644% change) linmin: converged after 4 iterations. iteration 68: trace = 1.072843533348247 (0.00114862% change) linmin: converged after 5 iterations. iteration 69: trace = 1.072832075863112 (0.00106796% change) resetting CG direction... large trace change predicted (0.0590976%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198165495435 (0.059105% change) linmin: converged after 3 iterations. iteration 71: trace = 1.071347121432168 (0.0794053% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541417243577 (0.0752331% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893790764136 (0.0605135% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675855879183 (0.0203718% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604546749708 (0.00666665% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582026279354 (0.00210552% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571751300006 (0.000960658% change) linmin: converged after 5 iterations. iteration 78: trace = 1.069569873147424 (0.000175599% change) linmin: converged after 4 iterations. iteration 79: trace = 1.069568920905723 (8.90304e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.069568383712686 (5.02252e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 1.069567970564559 (3.86276e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 1.069567770432681 (1.87115e-05% change) linmin: converged after 5 iterations. iteration 83: trace = 1.069567545838407 (2.09986e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 1.069567381557676 (1.53595e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567265929792 (1.08107e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567188677578 (7.22275e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 1.069567109999277 (7.35609e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 1.069566976660469 (1.24666e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 1.069566792749316 (1.71949e-05% change) linmin: converged after 17 iterations. iteration 90: trace = 1.069566597817774 (1.82253e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 1.069566244626771 (3.30219e-05% change) linmin: converged after 4 iterations. iteration 92: trace = 1.069565635858873 (5.69173e-05% change) large trace change predicted (0.000165196%) linmin: converged after 5 iterations. iteration 93: trace = 1.06956387209255 (0.000164905% change) large trace change predicted (0.000585548%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557788239936 (0.000568818% change) large trace change predicted (0.00617529%) linmin: converged after 6 iterations. iteration 95: trace = 1.069531774943568 (0.00243218% change) linmin: converged after 11 iterations. iteration 96: trace = 1.069511551491314 (0.00189089% change) linmin: converged after 5 iterations. iteration 97: trace = 1.069496485062151 (0.00140873% change) linmin: converged after 9 iterations. iteration 98: trace = 1.069483714706957 (0.00119406% change) linmin: converged after 7 iterations. iteration 99: trace = 1.069471294840564 (0.0011613% change) linmin: converged after 6 iterations. iteration 100: trace = 1.069459266140003 (0.00112474% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448887655883 (0.000970447% change) linmin: converged after 6 iterations. iteration 102: trace = 1.06944046019007 (0.000788023% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433455234601 (0.000655013% change) linmin: converged after 5 iterations. iteration 104: trace = 1.069427392829047 (0.000566882% change) linmin: converged after 5 iterations. iteration 105: trace = 1.069422034227361 (0.000501073% change) linmin: converged after 5 iterations. iteration 106: trace = 1.069417279119856 (0.000444644% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413061986538 (0.00039434% change) linmin: converged after 7 iterations. iteration 108: trace = 1.06940931020461 (0.000350827% change) linmin: converged after 5 iterations. iteration 109: trace = 1.069405944553276 (0.000314721% change) linmin: converged after 5 iterations. iteration 110: trace = 1.06940289152348 (0.000285489% change) linmin: converged after 7 iterations. iteration 111: trace = 1.069400091607866 (0.000261821% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397500751326 (0.000242272% change) linmin: converged after 5 iterations. iteration 113: trace = 1.069395087314011 (0.000225682% change) linmin: converged after 6 iterations. iteration 114: trace = 1.069392826887654 (0.000211375% change) linmin: converged after 9 iterations. iteration 115: trace = 1.069390698527835 (0.000199025% change) linmin: converged after 7 iterations. iteration 116: trace = 1.069388681629665 (0.000188603% change) linmin: converged after 6 iterations. iteration 117: trace = 1.06938675480266 (0.00018018% change) linmin: converged after 6 iterations. iteration 118: trace = 1.069384896447526 (0.000173778% change) linmin: converged after 5 iterations. iteration 119: trace = 1.069383085491322 (0.000169346% change) linmin: converged after 6 iterations. iteration 120: trace = 1.069381302915482 (0.000166692% change) linmin: converged after 5 iterations. iteration 121: trace = 1.069379532903683 (0.000165518% change) linmin: converged after 5 iterations. iteration 122: trace = 1.06937776377747 (0.000165435% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375988763906 (0.000165986% change) linmin: converged after 6 iterations. iteration 124: trace = 1.06937420607078 (0.000166704% change) linmin: converged after 5 iterations. iteration 125: trace = 1.069372418402329 (0.00016717% change) linmin: converged after 12 iterations. iteration 126: trace = 1.069370632204891 (0.000167032% change) linmin: converged after 5 iterations. iteration 127: trace = 1.069368856289836 (0.000166071% change) linmin: converged after 6 iterations. iteration 128: trace = 1.069367100282117 (0.00016421% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365373459161 (0.000161481% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363683488464 (0.000158035% change) linmin: converged after 5 iterations. iteration 131: trace = 1.069362035909332 (0.000154071% change) linmin: converged after 6 iterations. iteration 132: trace = 1.069360433876 (0.000149812% change) linmin: converged after 5 iterations. iteration 133: trace = 1.069358878400911 (0.000145459% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357368587366 (0.000141189% change) linmin: converged after 6 iterations. iteration 135: trace = 1.069355902282295 (0.00013712% change) linmin: converged after 5 iterations. iteration 136: trace = 1.069354476541137 (0.000133327% change) linmin: converged after 5 iterations. iteration 137: trace = 1.069353088071713 (0.000129842% change) linmin: converged after 6 iterations. iteration 138: trace = 1.069351733722393 (0.000126651% change) linmin: converged after 5 iterations. iteration 139: trace = 1.06935041074309 (0.000123718% change) resetting CG direction... large trace change predicted (0.0145571%) linmin: converged after 5 iterations. iteration 140: trace = 1.069194589198541 (0.0145727% change) linmin: converged after 3 iterations. iteration 141: trace = 1.06911709313124 (0.00724834% change) linmin: converged after 9 iterations. iteration 142: trace = 1.069075242997169 (0.00391453% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069027921807044 (0.00442646% change) linmin: converged after 3 iterations. iteration 144: trace = 1.068963657991049 (0.00601161% change) linmin: converged after 4 iterations. iteration 145: trace = 1.06891400978914 (0.00464463% change) linmin: converged after 3 iterations. iteration 146: trace = 1.068856612807161 (0.0053698% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800650551812 (0.00523585% change) linmin: converged after 5 iterations. iteration 148: trace = 1.068757436906973 (0.00404327% change) linmin: converged after 5 iterations. iteration 149: trace = 1.068717477377173 (0.00373895% change) linmin: converged after 6 iterations. iteration 150: trace = 1.068678983356841 (0.00360195% change) linmin: converged after 5 iterations. iteration 151: trace = 1.068654717977648 (0.00227062% change) linmin: converged after 5 iterations. iteration 152: trace = 1.0686427611166 (0.00111888% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637185012289 (0.000521794% change) linmin: converged after 7 iterations. iteration 154: trace = 1.068633795155064 (0.000317214% change) linmin: converged after 12 iterations. iteration 155: trace = 1.068631051184338 (0.000256774% change) linmin: converged after 5 iterations. iteration 156: trace = 1.068628594095047 (0.000229929% change) linmin: converged after 5 iterations. iteration 157: trace = 1.068627245930672 (0.000126158% change) linmin: converged after 5 iterations. iteration 158: trace = 1.06862673889039 (4.74478e-05% change) linmin: converged after 15 iterations. iteration 159: trace = 1.0686266121524 (1.18599e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626579652289 (3.0413e-06% change) linmin: converged after 4 iterations. iteration 161: trace = 1.068626564945623 (1.37622e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626553751397 (1.04753e-06% change) linmin: converged after 2 iterations. iteration 163: trace = 1.068626544183649 (8.95331e-07% change) linmin: converged after 4 iterations. iteration 164: trace = 1.068626536886242 (6.82877e-07% change) linmin: converged after 14 iterations. iteration 165: trace = 1.068626532351427 (4.24359e-07% change) linmin: converged after 22 iterations. iteration 166: trace = 1.068626528584204 (3.52529e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626526324687 (2.11441e-07% change) linmin: converged after 6 iterations. iteration 168: trace = 1.068626524950734 (1.28572e-07% change) linmin: converged after 19 iterations. iteration 169: trace = 1.068626523776463 (1.09886e-07% change) linmin: converged after 17 iterations. iteration 170: trace = 1.068626522088305 (1.57975e-07% change) large trace change predicted (3.16233e-07%) linmin: converged after 4 iterations. iteration 171: trace = 1.068626518708791 (3.16248e-07% change) linmin: converged after 5 iterations. iteration 172: trace = 1.068626515012172 (3.45922e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 1.068626512941864 (1.93735e-07% change) linmin: converged after 10 iterations. iteration 174: trace = 1.068626512088688 (7.98385e-08% change) linmin: converged after 9 iterations. iteration 175: trace = 1.068626511763958 (3.03876e-08% change) linmin: converged after 6 iterations. iteration 176: trace = 1.068626511597614 (1.55662e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.06862651152257 (7.02245e-09% change) linmin: converged after 6 iterations. iteration 178: trace = 1.068626511424088 (9.21574e-09% change) large trace change predicted (2.20296e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.068626511188873 (2.2011e-08% change) linmin: converged after 7 iterations. iteration 180: trace = 1.068626510793694 (3.69801e-08% change) linmin: converged after 14 iterations. iteration 181: trace = 1.068626510192906 (5.62205e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 1.068626509630347 (5.26432e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 1.068626508912449 (6.71795e-08% change) linmin: converged after 5 iterations. iteration 184: trace = 1.068626508074473 (7.84161e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626507353297 (6.74863e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626506862561 (4.59221e-08% change) linmin: converged after 5 iterations. iteration 187: trace = 1.068626506606021 (2.40065e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 1.068626506537262 (6.43431e-09% change) linmin: converged after 6 iterations. iteration 189: trace = 1.06862650651088 (2.46878e-09% change) linmin: converged after 4 iterations. iteration 190: trace = 1.068626506497223 (1.278e-09% change) linmin: converged after 4 iterations. iteration 191: trace = 1.068626506482471 (1.38044e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626506469351 (1.22776e-09% change) linmin: converged after 3 iterations. iteration 193: trace = 1.068626506461376 (7.4626e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626506459128 (2.10362e-10% change) linmin: converged after 4 iterations. iteration 195: trace = 1.068626506457287 (1.72316e-10% change) linmin: converged after 3 iterations. iteration 196: trace = 1.068626506457554 (2.50589e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 2.028233289718628 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763719056613 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691266764044 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957248580453 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647725331125 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735242038528 (0.0847095% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213690869048 (0.141411% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492207165716 (0.0671239% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213726981174 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138174945922 (0.00703349% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123918786314 (0.00132723% change) linmin: converged after 4 iterations. iteration 11: trace = 1.07412038024676 (0.000329435% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119594962904 (7.31095e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.07411933670597 (2.40436e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119179946586 (1.45942e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074119073478926 (9.91209e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 1.074118984961753 (8.24091e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118938123283 (4.36064e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118917069114 (1.96013e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.07411890920305 (7.32327e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118906939597 (2.10726e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118906052718 (8.25681e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118905382311 (6.24146e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118904624891 (7.05154e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 1.074118903773327 (7.92803e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118902977464 (7.40944e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.07411890157566 (1.30507e-07% change) large trace change predicted (3.47247e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118897845811 (3.47247e-07% change) large trace change predicted (1.06066e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118886453076 (1.06066e-06% change) large trace change predicted (3.74601e-06%) linmin: converged after 3 iterations. iteration 29: trace = 1.074118846218429 (3.74583e-06% change) large trace change predicted (2.30357e-05%) linmin: converged after 4 iterations. iteration 30: trace = 1.07411859982096 (2.29395e-05% change) near maximum in trace linmin: converged after 11 iterations. iteration 31: trace = 1.074108643566362 (0.000926928% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074107953537413 (6.4242e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 1.074107261859774 (6.43956e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 1.074106561314846 (6.52212e-05% change) linmin: converged after 8 iterations. iteration 35: trace = 1.074105843018113 (6.68739e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 1.074105100313764 (6.91463e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074104330038472 (7.17132e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 1.074103533027519 (7.42024e-05% change) linmin: converged after 10 iterations. iteration 39: trace = 1.074102713947628 (7.62571e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 1.074101880309247 (7.76126e-05% change) linmin: converged after 7 iterations. iteration 41: trace = 1.074101040934738 (7.81467e-05% change) linmin: converged after 9 iterations. iteration 42: trace = 1.074100204574553 (7.78661e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.07409937921881 (7.68416e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098572065521 (7.5147e-05% change) linmin: converged after 5 iterations. iteration 45: trace = 1.074097789681614 (7.2841e-05% change) linmin: converged after 7 iterations. iteration 46: trace = 1.074097037940103 (6.99882e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096321647223 (6.66879e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.074095644059812 (6.30844e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 1.074095006563114 (5.9352e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.074094408661756 (5.56656e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 1.074093848267679 (5.21736e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 1.074093322161515 (4.89814e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 1.074092826487751 (4.61481e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 1.07409235718707 (4.36928e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 1.074091910322758 (4.16039e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 1.074091482297667 (3.985e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 1.074091069991112 (3.83865e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 1.074090670763931 (3.71688e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090282536506 (3.61448e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.074089903708854 (3.52696e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089533120103 (3.45026e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 1.074089169987019 (3.38085e-05% change) linmin: converged after 7 iterations. iteration 63: trace = 1.074088813808477 (3.3161e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.074088464324902 (3.25377e-05% change) linmin: converged after 7 iterations. iteration 65: trace = 1.074088121426638 (3.19246e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.0740877851021 (3.13126e-05% change) linmin: converged after 12 iterations. iteration 67: trace = 1.074087455374855 (3.06984e-05% change) linmin: converged after 6 iterations. iteration 68: trace = 1.074087132289391 (3.008e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 1.074086815864775 (2.94599e-05% change) resetting CG direction... large trace change predicted (0.00552359%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027482180692 (0.00552426% change) linmin: converged after 9 iterations. iteration 71: trace = 1.073989942607064 (0.00349528% change) linmin: converged after 12 iterations. iteration 72: trace = 1.073965789453857 (0.00224894% change) linmin: converged after 5 iterations. iteration 73: trace = 1.073953283806058 (0.00116444% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950613319717 (0.00024866% change) linmin: converged after 20 iterations. iteration 75: trace = 1.073949435462264 (0.000109675% change) linmin: converged after 3 iterations. iteration 76: trace = 1.073948825694326 (5.67781e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.073947994392227 (7.74061e-05% change) linmin: converged after 8 iterations. iteration 78: trace = 1.073947337695718 (6.11479e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 1.073947048567081 (2.69221e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946934385051 (1.0632e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946887628619 (4.3537e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 1.073946858409687 (2.72071e-06% change) linmin: converged after 2 iterations. iteration 83: trace = 1.073946841531906 (1.57157e-06% change) linmin: converged after 2 iterations. iteration 84: trace = 1.073946832938583 (8.00163e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.073946828577481 (4.06082e-07% change) linmin: converged after 27 iterations. iteration 86: trace = 1.073946825151966 (3.18965e-07% change) linmin: converged after 3 iterations. iteration 87: trace = 1.073946821556441 (3.34795e-07% change) large trace change predicted (7.27429e-07%) linmin: converged after 2 iterations. iteration 88: trace = 1.073946813744273 (7.27426e-07% change) large trace change predicted (1.48166e-06%) linmin: converged after 6 iterations. iteration 89: trace = 1.073946797832034 (1.48166e-06% change) large trace change predicted (4.38325e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946750758945 (4.38319e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 1.073946661836088 (8.28001e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 1.073946510809473 (1.40628e-05% change) linmin: converged after 4 iterations. iteration 93: trace = 1.073946346927543 (1.52598e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946236824462 (1.02522e-05% change) linmin: converged after 7 iterations. iteration 95: trace = 1.073946131333183 (9.82277e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946035343458 (8.93804e-06% change) linmin: converged after 9 iterations. iteration 97: trace = 1.073945934499583 (9.39003e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 1.073945851315358 (7.74566e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 1.073945825442814 (2.40911e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.073945819324392 (5.69714e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945818344309 (9.126e-08% change) linmin: converged after 11 iterations. iteration 102: trace = 1.073945818000809 (3.19849e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 1.07394581782052 (1.67875e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 1.073945817706541 (1.06132e-08% change) linmin: converged after 13 iterations. iteration 105: trace = 1.073945817659088 (4.41856e-09% change) linmin: converged after 14 iterations. iteration 106: trace = 1.073945817644408 (1.3669e-09% change) linmin: converged after 4 iterations. iteration 107: trace = 1.073945817639472 (4.59639e-10% change) linmin: converged after 3 iterations. iteration 108: trace = 1.073945817637059 (2.2462e-10% change) linmin: converged after 5 iterations. iteration 109: trace = 1.07394581763545 (1.49815e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945817634288 (1.08237e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945817633486 (7.47216e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 1.1578919887542725 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863479069987 (5.33663% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476762771872 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328680058971 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208237652582 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035153257674 (0.0160991% change) linmin: converged after 4 iterations. iteration 6: trace = 1.07495567787181 (0.00739309% change) linmin: converged after 4 iterations. iteration 7: trace = 1.07489604100828 (0.005548% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074864545642547 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852320511409 (0.00113737% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074849995023965 (0.000216354% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849408104471 (5.46048e-05% change) linmin: converged after 7 iterations. iteration 12: trace = 1.07484925348321 (1.43854e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 1.074849211365392 (3.91849e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849197238617 (1.3143e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.0748491939018 (3.10445e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.07484919279195 (1.03256e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849192018323 (7.19754e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849191077398 (8.75402e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849189832154 (1.15853e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849188774381 (9.84113e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849187632626 (1.06225e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849185627843 (1.86518e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.074849182302245 (3.09401e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849177338294 (4.61828e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.07484917183795 (5.11732e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849163278143 (7.96373e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 1.074849149072531 (1.32164e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.074849135613295 (1.2522e-06% change) linmin: converged after 12 iterations. iteration 29: trace = 1.074849127787801 (7.28055e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.074849124337294 (3.21022e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.074849122292113 (1.90276e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 1.074849120759366 (1.42601e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849119951329 (7.51767e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849119653637 (2.76962e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849119578836 (6.95921e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849119561897 (1.57593e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849119557948 (3.67365e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849119556919 (9.57095e-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: 0.40164756774902344 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756928889635 (0.8945% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235320479466 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638821919075 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077807615363 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780809924632 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586975848259 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447674566892 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07239324930753 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363234306035 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354614512467 (0.000803816% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350294325665 (0.00040287% change) linmin: converged after 4 iterations. iteration 12: trace = 1.072348197859714 (0.000195502% change) linmin: converged after 5 iterations. iteration 13: trace = 1.072347343016209 (7.9717e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.072346884696343 (4.27399e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.07234660605146 (2.59846e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07234614183072 (4.32902e-05% change) large trace change predicted (0.000101683%) linmin: converged after 6 iterations. iteration 17: trace = 1.072345051413871 (0.000101685% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342978117142 (0.000193343% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072339886174542 (0.000288336% change) linmin: converged after 6 iterations. iteration 20: trace = 1.072336568754295 (0.000309363% change) linmin: converged after 6 iterations. iteration 21: trace = 1.072331050007272 (0.000514648% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072320804331793 (0.000955463% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308824211446 (0.00111722% change) linmin: converged after 5 iterations. iteration 24: trace = 1.072300253617964 (0.000799269% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297152970607 (0.000289159% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296294033781 (8.01025e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296061085734 (2.17242e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072295996603083 (6.01351e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 1.07229596481925 (2.96409e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072295944361958 (1.9078e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 1.072295933091762 (1.05103e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072295927618417 (5.10432e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.072295924943595 (2.49448e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295923277328 (1.55392e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295922439359 (7.81472e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295922104249 (3.12516e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295921972245 (1.23104e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295921927453 (4.17716e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 1.072295921913538 (1.29775e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 1.072295921909039 (4.19532e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295921906505 (2.36271e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295921902227 (3.99032e-10% change) large trace change predicted (1.11325e-09%) linmin: converged after 4 iterations. iteration 43: trace = 1.072295921890285 (1.11362e-09% change) large trace change predicted (2.51355e-09%) linmin: converged after 4 iterations. iteration 44: trace = 1.072295921863336 (2.5132e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295921823715 (3.69499e-09% change) linmin: converged after 2 iterations. iteration 46: trace = 1.072295921777813 (4.28072e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295921716891 (5.68149e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 1.072295921632311 (7.88774e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 1.072295921539308 (8.67323e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.072295921472018 (6.27532e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295921442597 (2.74377e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 1.072295921433141 (8.81845e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 1.072295921430327 (2.62425e-10% change) linmin: converged after 8 iterations. iteration 54: trace = 1.07229592142945 (8.17735e-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: 0.5672867298126221 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401201352723 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911340676635 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941883614518 (0.0905674% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553494631214 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331069386508 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162601853792 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053122005517 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016255165058 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993091669421 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984029127497 (0.000847768% change) linmin: converged after 4 iterations. iteration 11: trace = 1.068978782304659 (0.000490825% change) linmin: converged after 5 iterations. iteration 12: trace = 1.068976653380584 (0.000199155% change) linmin: converged after 5 iterations. iteration 13: trace = 1.068976043650833 (5.70387e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975817475684 (2.11581e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975734587086 (7.75402e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975673269737 (5.73608e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975593551143 (7.45748e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.068975486354871 (1.00279e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 1.068975353899244 (1.23909e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.068975220345294 (1.24936e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.068974990940238 (2.14603e-05% change) large trace change predicted (5.31061e-05%) linmin: converged after 5 iterations. iteration 22: trace = 1.068974423281047 (5.31031e-05% change) large trace change predicted (0.000113319%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973212211538 (0.000113293% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971594090734 (0.000151372% change) linmin: converged after 5 iterations. iteration 25: trace = 1.06897065557211 (8.77964e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970277920311 (3.53286e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970126068107 (1.42055e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.068970046481839 (7.44514e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.068969982473928 (5.98781e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 1.068969944328178 (3.56846e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969927467672 (1.57727e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.06896992033174 (6.67552e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969916573257 (3.51599e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969914193785 (2.22595e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969913260317 (8.73241e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.068969913000468 (2.43084e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969912930471 (6.54805e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.068969912912177 (1.71133e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969912906771 (5.05732e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 1.068969912904935 (1.71741e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969912904174 (7.12266e-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: 0.43150997161865234 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.072100852569394 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747606743721 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703605365349 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875354137469 (0.0775306% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259404490347 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744497098502 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542822875331 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066493999681025 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464576602916 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451570500941 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443654850833 (0.000742245% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440704050643 (0.000276696% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439832312962 (8.17428e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.066439358049168 (4.44717e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.066438992744339 (3.42546e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.066438530018408 (4.33898e-05% change) linmin: converged after 18 iterations. iteration 17: trace = 1.06643806619093 (4.34931e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 1.066437643209494 (3.9663e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437074787201 (5.3301e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.066435986047381 (0.000102091% change) large trace change predicted (0.000276027%) linmin: converged after 3 iterations. iteration 21: trace = 1.066433043815026 (0.000275894% change) linmin: converged after 4 iterations. iteration 22: trace = 1.066427917613677 (0.000480688% change) linmin: converged after 5 iterations. iteration 23: trace = 1.066424309600794 (0.000338328% change) linmin: converged after 4 iterations. iteration 24: trace = 1.066422943551421 (0.000128096% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422482769997 (4.32081e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422169765509 (2.93509e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 1.066421873490322 (2.77822e-05% change) linmin: converged after 11 iterations. iteration 28: trace = 1.066421668729804 (1.92007e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 1.066421573517772 (8.92818e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421540677889 (3.07945e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421526588089 (1.32122e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421520010509 (6.1679e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.066421516926047 (2.89235e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421515515655 (1.32255e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421515068312 (4.19481e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421514950688 (1.10298e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421514917502 (3.11189e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421514904225 (1.24504e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421514893381 (1.0168e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.066421514883541 (9.22724e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421514878268 (4.94489e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421514876413 (1.73963e-10% change) linmin: converged after 7 iterations. iteration 43: trace = 1.066421514875839 (5.37818e-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: 0.45387768745422363 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785760407667 (0.695777% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527557075933 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558934262162 (0.0907763% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685951993444 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178384811165 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838977406919 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736322649362 (0.00964087% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718049984947 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709431268452 (0.000809487% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705771907496 (0.000343696% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064703051623083 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701640303796 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701169757433 (4.41951e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700931171333 (2.24087e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700790259816 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700681643906 (1.02015e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700624170726 (5.39806e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700604679051 (1.83072e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700597954582 (6.31583e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700595425518 (2.37538e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700593195166 (2.09482e-07% change) large trace change predicted (4.80215e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700588082319 (4.80215e-07% change) large trace change predicted (1.42503e-06%) linmin: converged after 6 iterations. iteration 23: trace = 1.064700572910027 (1.42503e-06% change) large trace change predicted (2.98118e-06%) linmin: converged after 4 iterations. iteration 24: trace = 1.064700541169922 (2.98113e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.06470051430458 (2.52328e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700496242537 (1.69644e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 1.064700477579734 (1.75287e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 1.064700454210356 (2.19493e-06% change) linmin: converged after 7 iterations. iteration 29: trace = 1.064700434192205 (1.88017e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700425659376 (8.0143e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700422212641 (3.23728e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700420435221 (1.66941e-07% change) linmin: converged after 7 iterations. iteration 33: trace = 1.064700419374551 (9.96215e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.064700418813153 (5.27283e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700418622712 (1.78868e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700418569029 (5.04212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 1.064700418549425 (1.84119e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700418537284 (1.14034e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 1.064700418526426 (1.01979e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.064700418520253 (5.79835e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.064700418518458 (1.68614e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.064700418518055 (3.78312e-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: 0.4414668083190918 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021344915553 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008621870004 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158240669171 (0.0795802% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197590440581 (0.0899757% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544125568045 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958657336834 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750315887017 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675507707162 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611167298035 (0.00603771% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570509518795 (0.00381552% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544554187012 (0.00243585% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536853560782 (0.000722697% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534818427032 (0.000190996% change) linmin: converged after 4 iterations. iteration 14: trace = 1.065533862625672 (8.97016e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533306748404 (5.21689e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532895386641 (3.86062e-05% change) linmin: converged after 9 iterations. iteration 17: trace = 1.065532680025542 (2.02116e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.06553255955232 (1.13064e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065532408719033 (1.41557e-05% change) large trace change predicted (2.83299e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532106849939 (2.83304e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.065531534690143 (5.36971e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 1.065530954218745 (5.44772e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 1.065530500219555 (4.26078e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.06552984568909 (6.14277e-05% change) large trace change predicted (0.000173367%) linmin: converged after 15 iterations. iteration 25: trace = 1.06552799965887 (0.00017325% change) large trace change predicted (0.000909574%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518573412932 (0.000884659% change) large trace change predicted (0.0039391%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486646361443 (0.00299643% change) linmin: converged after 5 iterations. iteration 28: trace = 1.065452554659883 (0.00319969% change) linmin: converged after 16 iterations. iteration 29: trace = 1.065430693268463 (0.00205186% change) linmin: converged after 6 iterations. iteration 30: trace = 1.065419519080608 (0.0010488% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412509494611 (0.00065792% change) linmin: converged after 6 iterations. iteration 32: trace = 1.065407621877639 (0.000458755% change) linmin: converged after 9 iterations. iteration 33: trace = 1.065405102852905 (0.000236438% change) linmin: converged after 5 iterations. iteration 34: trace = 1.065404013653337 (0.000102233% change) linmin: converged after 5 iterations. iteration 35: trace = 1.065403607529939 (3.81192e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 1.065403438144094 (1.58988e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.0654033202444 (1.10662e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403205426342 (1.0777e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403103668991 (9.55107e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403050681248 (4.97349e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.065403032303729 (1.72494e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 1.065403025362517 (6.5151e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.065403020930136 (4.16029e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.06540301747712 (3.24104e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403015260873 (2.0802e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403014290266 (9.11023e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 1.065403013827938 (4.33947e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.065403013360877 (4.38389e-08% change) large trace change predicted (8.98643e-08%) linmin: converged after 4 iterations. iteration 49: trace = 1.065403012403461 (8.98642e-08% change) large trace change predicted (2.34619e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403009903821 (2.34619e-07% change) large trace change predicted (5.60705e-07%) linmin: converged after 15 iterations. iteration 51: trace = 1.065403003930014 (5.60709e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 1.065402994614141 (8.74399e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 1.065402982562521 (1.13118e-06% change) linmin: converged after 26 iterations. iteration 54: trace = 1.065402965478554 (1.60352e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.065402939975548 (2.39374e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402906097781 (3.17981e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 1.065402876827961 (2.7473e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.065402863580164 (1.24345e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402858859303 (4.43106e-07% change) linmin: converged after 10 iterations. iteration 60: trace = 1.065402856811709 (1.9219e-07% change) linmin: converged after 6 iterations. iteration 61: trace = 1.065402855504032 (1.2274e-07% change) linmin: converged after 4 iterations. iteration 62: trace = 1.06540285440808 (1.02867e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402853652846 (7.08872e-08% change) linmin: converged after 19 iterations. iteration 64: trace = 1.065402853303933 (3.27493e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402853146645 (1.47633e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.065402853050131 (9.05893e-09% change) linmin: converged after 14 iterations. iteration 67: trace = 1.065402852965499 (7.94363e-09% change) linmin: converged after 9 iterations. iteration 68: trace = 1.065402852895214 (6.59702e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.065402852857954 (3.49731e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402852845007 (1.21518e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402852839237 (5.41646e-10% change) linmin: converged after 2 iterations. iteration 72: trace = 1.065402852837472 (1.65606e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402852836689 (7.35284e-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: 0.7597751617431641 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065653112996369 (0.504168% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445241826932 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314184548363 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800174903145 (0.142622% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864957542133 (0.0882004% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934121440336 (0.0878645% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590200019372 (0.0324834% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340318532987 (0.0236079% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044386463274 (0.0279658% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844207652373 (0.0189215% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733306672217 (0.0104842% change) linmin: converged after 4 iterations. iteration 12: trace = 1.05768689201835 (0.00438822% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643722460933 (0.00408159% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601096961404 (0.00403031% change) linmin: converged after 4 iterations. iteration 15: trace = 1.05757417078635 (0.002546% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560844576458 (0.00126008% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554898606294 (0.000562236% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493843072 (0.000416505% change) linmin: converged after 4 iterations. iteration 19: trace = 1.057547622631858 (0.000271497% change) linmin: converged after 4 iterations. iteration 20: trace = 1.057546213878128 (0.00013321% change) linmin: converged after 4 iterations. iteration 21: trace = 1.057545647850858 (5.35227e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.057545445640181 (1.91208e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 1.057545347036372 (9.32384e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.05754529525713 (4.89617e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545272315959 (2.16928e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545263484878 (8.35055e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545261207965 (2.15302e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545260407783 (7.56641e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259972299 (4.11787e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 1.057545259681955 (2.74545e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 1.057545259507395 (1.65061e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.057545259447479 (5.66558e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.057545259428583 (1.78678e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 1.05754525941985 (8.2574e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.057545259413384 (6.11431e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.057545259406995 (6.04145e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 1.05754525940242 (4.32564e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.057545259399842 (2.43808e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 1.057545259398158 (1.59193e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 1.057545259396716 (1.36391e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.057545259395656 (1.00194e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545259395153 (4.76404e-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: 0.4445226192474365 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264390008218 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735269805439 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264553501688 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963510087525 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842774349176 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772457400863 (0.00670447% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748916278931 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.04874458412894 (0.000413079% change) linmin: converged after 4 iterations. iteration 9: trace = 1.048741975741291 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740252738593 (0.000164292% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738775041926 (0.000140902% change) linmin: converged after 6 iterations. iteration 12: trace = 1.04873814044277 (6.05107e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737953102158 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737881592505 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737849348966 (3.07451e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737825507567 (2.27334e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.04873780790372 (1.67857e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737792521639 (1.46672e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 1.048737776223337 (1.55409e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.048737762614186 (1.29767e-06% change) linmin: converged after 10 iterations. iteration 21: trace = 1.048737753934571 (8.27625e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.048737750358043 (3.41032e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.04873774903562 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737748461624 (5.47321e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737748209692 (2.40223e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 1.048737748067656 (1.35436e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.048737748012891 (5.22198e-09% change) linmin: converged after 14 iterations. iteration 28: trace = 1.048737747998486 (1.37359e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.04873774799495 (3.37173e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737747994243 (6.74346e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.31914258003234863 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.04373032376724 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615068445876 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310398011012 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172281270188 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115500233418 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085476008985 (0.00288113% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070527040512 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066551289994 (0.000381525% change) linmin: converged after 5 iterations. iteration 9: trace = 1.04206288973522 (0.000351375% change) linmin: converged after 4 iterations. iteration 10: trace = 1.042059739668511 (0.000302292% change) linmin: converged after 10 iterations. iteration 11: trace = 1.042056942042616 (0.000268471% change) linmin: converged after 4 iterations. iteration 12: trace = 1.042055778363033 (0.000111671% change) linmin: converged after 26 iterations. iteration 13: trace = 1.042055460398871 (3.05132e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.0420553586799 (9.76138e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055324993681 (3.23267e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055305248048 (1.89487e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055288099208 (1.64567e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055268331803 (1.89696e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055243841358 (2.35021e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.042055223286475 (1.97253e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055209721676 (1.30174e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.042055203793572 (5.68886e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.042055201798021 (1.91502e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 1.042055201080773 (6.88301e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055200828692 (2.41908e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.042055200695066 (1.28233e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.04205520062841 (6.39666e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055200604439 (2.3003e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055200595059 (9.00171e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.042055200590854 (4.03495e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.04205520058802 (2.72001e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.042055200586265 (1.68378e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 1.042055200585646 (5.93863e-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: 0.34855127334594727 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583970620835 (0.36753% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722868613669 (0.0827861% change) linmin: converged after 4 iterations. iteration 3: trace = 1.039501659245392 (0.0212781% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430650247364 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402553924871 (0.00270309% change) linmin: converged after 4 iterations. iteration 6: trace = 1.039389239745276 (0.00128095% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377843070022 (0.00109648% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372511626056 (0.000512947% change) linmin: converged after 5 iterations. iteration 9: trace = 1.03936567264714 (0.000657993% change) linmin: converged after 5 iterations. iteration 10: trace = 1.03935880079529 (0.00066116% change) linmin: converged after 4 iterations. iteration 11: trace = 1.039351525176245 (0.000700013% change) linmin: converged after 6 iterations. iteration 12: trace = 1.039347746169457 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346606705155 (0.000109633% change) linmin: converged after 4 iterations. iteration 14: trace = 1.039346255962962 (3.37464e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346154799909 (9.73334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346104304229 (4.85841e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346059902959 (4.27204e-06% change) linmin: converged after 27 iterations. iteration 18: trace = 1.039346005620383 (5.22276e-06% change) linmin: converged after 16 iterations. iteration 19: trace = 1.039345934921922 (6.80221e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345866757307 (6.55841e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.039345800513334 (6.37362e-06% change) linmin: converged after 24 iterations. iteration 22: trace = 1.039345752576649 (4.6122e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345727234404 (2.43829e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345713127688 (1.35727e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345704760227 (8.0507e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345698306541 (6.20937e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345695118848 (3.06702e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345693924504 (1.14913e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345693439283 (4.66852e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345693258771 (1.73679e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345693189226 (6.69121e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 1.039345693167008 (2.13773e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.039345693160963 (5.8161e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.039345693157889 (2.95719e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.03934569315453 (3.23257e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.039345693149385 (4.95044e-10% change) linmin: converged after 8 iterations. iteration 37: trace = 1.039345693143692 (5.47749e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.039345693140869 (2.71578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345693140003 (8.32978e-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: 0.41026949882507324 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607165818835 (0.346521% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876246364466 (0.0701296% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689796796801 (0.0178972% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641151390404 (0.00466996% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621659456553 (0.00187129% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041610033050065 (0.00111619% change) large trace change predicted (0.00250136%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583961519007 (0.00250303% change) linmin: converged after 16 iterations. iteration 8: trace = 1.04154731449902 (0.00351846% change) large trace change predicted (0.00868804%) linmin: converged after 5 iterations. iteration 9: trace = 1.04145703715064 (0.00866799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.041334069020565 (0.011808% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164707861741 (0.0162652% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009781894536 (0.0148812% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930959731446 (0.00757199% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898081363439 (0.0031586% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888105203845 (0.000958423% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884182006561 (0.000376909% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881865607254 (0.000222542% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880137786975 (0.000165996% change) linmin: converged after 5 iterations. iteration 19: trace = 1.040878855325185 (0.000123209% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878290504283 (5.42639e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878059480002 (2.21951e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877960933146 (9.46767e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.04087792222068 (3.71921e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877905145247 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087789679989 (8.01761e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877887608095 (8.83081e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.040877870205584 (1.67191e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.040877839518936 (2.94815e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.040877789111009 (4.84283e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877729207435 (5.7551e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.04087767478233 (5.22877e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.04087764524369 (2.83786e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877636430422 (8.46715e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877633377459 (2.93307e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877631857883 (1.4599e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877630817292 (9.99724e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877629979367 (8.05018e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877629515229 (4.4591e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877629308932 (1.98195e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877629219538 (8.58833e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.04087762917767 (4.0223e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.040877629151957 (2.47034e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 1.040877629131768 (1.93961e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 1.040877629107177 (2.36253e-09% change) linmin: converged after 17 iterations. iteration 45: trace = 1.040877629064833 (4.06812e-09% change) large trace change predicted (8.31377e-09%) linmin: converged after 14 iterations. iteration 46: trace = 1.040877628978295 (8.31398e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877628822077 (1.50083e-08% change) linmin: converged after 5 iterations. iteration 48: trace = 1.040877628670346 (1.45773e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877628597061 (7.04067e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.04087762857276 (2.33469e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.040877628565441 (7.03139e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 1.04087762856274 (2.59509e-10% change) linmin: converged after 8 iterations. iteration 53: trace = 1.040877628561272 (1.40986e-10% change) linmin: converged after 2 iterations. iteration 54: trace = 1.040877628560377 (8.59911e-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: 0.566138744354248 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510747904869 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967657985676837 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237077092750754 at Vector3<0.0, 0.5, 0.0> to 0.5955899543441988 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516364013836 at Vector3<0.0, 0.5, 0.0> to 0.5958191247379799 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135898269759 at Vector3<0.0, 0.6, 0.4> to 0.5958386872987961 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967657985676837) to band 3 (0.44237077092750754), 10.86949943970597% total elapsed time for run: 15.15694522857666 done /tmp/meepWcFBDI/test_diamond-0: 15.16s /tmp/meepWcFBDI/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: 0.0043070316314697266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.0104980213462 (194.322% change) linmin: converged after 10 iterations. iteration 2: trace = 6.7066921647591 (76.4722% change) linmin: converged after 5 iterations. iteration 3: trace = 5.931553793257748 (12.2665% change) linmin: converged after 7 iterations. iteration 4: trace = 5.662635341057383 (4.63885% change) linmin: converged after 6 iterations. iteration 5: trace = 5.527372289505174 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.474817264594447 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.452647710693626 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006303085 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411734995851 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.43422379339866 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201918725 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964489639 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.43012996400673 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252882632 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.42541009633103 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783190124 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499330059 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004379173 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619210303 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413231823 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533288837 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261605 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258735 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787764 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.41453770936671 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428365 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414516059097767 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595679 (0.000185769% change) linmin: converged after 4 iterations. iteration 29: trace = 5.414495579585637 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.414486357822076 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160046 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675672 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062522 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517077 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896516 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684583 (1.16746e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 5.414470802007642 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361671 (3.81311e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 5.414470762077187 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.4144707413863 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667661 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127531 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366233 (2.35689e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 5.414470683200214 (1.87756e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.41447067491259 (1.53064e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970515 (9.12753e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 5.414470667695286 (4.20213e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.62452e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454844 (6.66453e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 5.414470666309386 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257192 (9.63969e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.41447066622563 (5.82925e-10% change) linmin: converged after 6 iterations. iteration 53: trace = 5.414470666199103 (4.89932e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 5.414470666173608 (4.70854e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 5.414470666149867 (4.38473e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128759 (3.89852e-10% change) linmin: converged after 4 iterations. iteration 57: trace = 5.414470666110484 (3.37524e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093929 (3.0575e-10% change) linmin: converged after 3 iterations. iteration 59: trace = 5.414470666080775 (2.4294e-10% change) linmin: converged after 15 iterations. iteration 60: trace = 5.414470666072163 (1.59051e-10% change) linmin: converged after 15 iterations. iteration 61: trace = 5.414470666068264 (7.20126e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.23806142807006836 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.41403420081917 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431346 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235921 (0.116695% change) linmin: converged after 6 iterations. iteration 4: trace = 5.385733021260235 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190085 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.3848503083489 (0.00507812% change) linmin: converged after 3 iterations. iteration 7: trace = 5.384742385265685 (0.00200422% change) linmin: converged after 3 iterations. iteration 8: trace = 5.38470733103351 (0.000650994% change) linmin: converged after 3 iterations. iteration 9: trace = 5.384697125432802 (0.00018953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.38469473882676 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418341 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474324 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290628 (1.43339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.384693236314641 (5.19547e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.384693227539168 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.384693222657307 (9.06618e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.384693220298981 (4.37968e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.384693219444978 (1.58598e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.384693219150673 (5.46559e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100494 (9.3189e-10% change) linmin: converged after 16 iterations. iteration 21: trace = 5.384693219085566 (2.77223e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081497 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.1173391342163086 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.355662708025359 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135071008 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979042551 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997327389 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.344879076780761 (0.0019817% change) linmin: converged after 3 iterations. iteration 6: trace = 5.344849146440931 (0.000559983% change) linmin: converged after 4 iterations. iteration 7: trace = 5.344835115273685 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084939 (9.83976e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.344828194805028 (3.1082e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.344827781914858 (7.72504e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.344827673972827 (2.01956e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.344827628371272 (8.5319e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.344827617785667 (1.98053e-07% change) linmin: converged after 8 iterations. iteration 14: trace = 5.344827614523989 (6.10249e-08% change) linmin: converged after 17 iterations. iteration 15: trace = 5.344827613901683 (1.16431e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.344827613761432 (2.62404e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731038 (5.68669e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.344827613719946 (2.07536e-10% change) linmin: converged after 5 iterations. iteration 19: trace = 5.344827613715934 (7.50614e-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: 0.10212063789367676 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320236641 (0.319238% change) linmin: converged after 3 iterations. iteration 2: trace = 5.334738355250956 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635047864 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678894382 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699652959 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391909665 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504792 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683689 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811742 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203946 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551377 (9.65545e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.332538790057391 (3.84319e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.332538782348804 (1.44558e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.332538778533804 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162958 (2.57072e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.332538776747994 (7.78172e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.332538776643055 (1.9679e-09% change) linmin: converged after 9 iterations. iteration 18: trace = 5.332538776603641 (7.39119e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.332538776587454 (3.03552e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.332538776581435 (1.12877e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580061 (2.57666e-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: 0.11182045936584473 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432907266 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965978479 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997914966 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.35289470173131 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.352440600409755 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036236 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551866 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977448 (0.000377464% change) linmin: converged after 3 iterations. iteration 9: trace = 5.352160538189586 (0.000156288% change) linmin: converged after 3 iterations. iteration 10: trace = 5.352156103699518 (8.28542e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.352153672779481 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741608 (2.50747e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.352151885750045 (8.31425e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.352151731938052 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468187 (9.42983e-07% change) linmin: converged after 26 iterations. iteration 16: trace = 5.352151666678833 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664988 (9.36791e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.352151659840982 (3.40799e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337843 (9.40068e-09% change) linmin: converged after 20 iterations. iteration 20: trace = 5.352151659154269 (3.42991e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.352151659081812 (1.35379e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 5.352151659049182 (6.09659e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.352151659038404 (2.01394e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.352151659035265 (5.8646e-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: 0.1275489330291748 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214244408 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953625003145 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192870067794 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420956356 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128078438 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833889937 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112030128 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.378899374348999 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618800426 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.378289587789368 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343504 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790143 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090067 (0.000149803% change) linmin: converged after 4 iterations. iteration 14: trace = 5.378206573501585 (5.4081e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.378205626014867 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.0471e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.37820513826171 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148517 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912402 (7.29539e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.378205008150027 (3.11672e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.378205002382001 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047533 (9.91868e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92647e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.378204989224098 (6.62008e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.378204987266803 (3.63931e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.378204986560156 (1.31391e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 5.378204986365552 (3.61837e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 5.37820498629853 (1.24618e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 5.37820498625279 (8.50475e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.37820498622292 (5.55396e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 5.378204986206846 (2.98861e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199397 (1.38506e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.378204986194202 (9.65927e-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: 0.17449355125427246 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784598 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.2940461233384 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.28498123418097 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119400055 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824734871 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.28119002601832 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590535 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052711 (0.000815077% change) linmin: converged after 5 iterations. iteration 9: trace = 5.281001279428487 (0.000303685% change) linmin: converged after 5 iterations. iteration 10: trace = 5.280995051890185 (0.000117924% change) linmin: converged after 4 iterations. iteration 11: trace = 5.280992817488489 (4.23102e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892311 (1.6315e-05% change) linmin: converged after 8 iterations. iteration 13: trace = 5.280991779814329 (3.33418e-06% change) linmin: converged after 22 iterations. iteration 14: trace = 5.280991731376422 (9.17212e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.2809917198571 (2.18128e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887296 (5.62357e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662333 (2.31957e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.280991715170666 (9.31013e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.280991714932147 (4.51655e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.280991714863475 (1.30037e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843209 (3.83762e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.280991714835505 (1.45883e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.280991714829538 (1.12986e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.280991714822688 (1.29704e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.280991714818072 (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: 0.1332077980041504 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281901905 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367540616 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.122357731846904 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.121744242383172 (0.0119774% change) linmin: converged after 3 iterations. iteration 5: trace = 5.121558726681856 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069638 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.121447904740824 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676648 (0.000159839% change) linmin: converged after 5 iterations. iteration 9: trace = 5.121437287250282 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075802 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510687 (5.77282e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.121436680112648 (1.05401e-07% change) linmin: converged after 16 iterations. iteration 14: trace = 5.121436678590911 (2.97131e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.1214366781803 (8.0175e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.121436678101731 (1.53411e-09% change) linmin: converged after 8 iterations. iteration 17: trace = 5.121436678082405 (3.77353e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.121436678073872 (1.66625e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.121436678060033 (2.70211e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.121436678042874 (3.35037e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.121436678033493 (1.8317e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.121436678029979 (6.86238e-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: 0.11691117286682129 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457317 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392864 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263512 (0.0144763% change) linmin: converged after 3 iterations. iteration 4: trace = 4.989343647120221 (0.00341051% change) linmin: converged after 5 iterations. iteration 5: trace = 4.989291241669554 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813456 (0.000340667% change) linmin: converged after 4 iterations. iteration 7: trace = 4.989267787671134 (0.000129421% change) linmin: converged after 4 iterations. iteration 8: trace = 4.989266097922172 (3.38677e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.989265604082196 (9.89805e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.98926551560132 (1.77342e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.989265501206933 (2.88507e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.989265496708831 (9.01556e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.989265495704008 (2.01397e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.989265495448891 (5.11331e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.989265495393169 (1.11685e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383626 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381124 (5.01476e-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: 0.09075498580932617 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536844617 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118935363 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641585688 (0.00903886% change) linmin: converged after 5 iterations. iteration 4: trace = 4.906037816828903 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.90601308488916 (0.000504114% change) linmin: converged after 4 iterations. iteration 6: trace = 4.906007389591642 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953554 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.906005406698463 (8.7292e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.906005254385178 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417486 (7.73902e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418552 (1.42661e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.906005206803115 (5.33109e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.90600520625212 (1.1231e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.906005206142128 (2.24199e-09% change) linmin: converged after 6 iterations. iteration 15: trace = 4.906005206125057 (3.47957e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.906005206120701 (8.87815e-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: 0.08657956123352051 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825180491 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626561251 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752867638 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.877799554961353 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932666997 (0.000381777% change) linmin: converged after 3 iterations. iteration 6: trace = 4.877777338735237 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798963 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093839 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075418 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591738 (1.73925e-07% change) linmin: converged after 25 iterations. iteration 11: trace = 4.877776573289265 (4.72033e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.877776571775757 (6.04124e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.877776571718368 (1.17655e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.877776571708915 (1.93795e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.877776571705256 (7.50015e-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: 0.08605265617370605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026478 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880305 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362767 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668911 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539708 (0.00115393% change) linmin: converged after 4 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887027 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295163 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558867 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844869 (1.02794e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751464 (4.02961e-08% change) linmin: converged after 10 iterations. iteration 13: trace = 4.933541210308101 (8.98672e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.933541210231287 (1.55696e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.933541210216971 (2.90188e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.933541210214674 (4.65554e-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: 0.08617830276489258 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162789 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310897 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827632191 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562915928 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938953227 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324339 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856566 (0.000915511% change) linmin: converged after 7 iterations. iteration 8: trace = 5.086793518222223 (0.000266899% change) linmin: converged after 5 iterations. iteration 9: trace = 5.086790021445185 (6.87423e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.086789203381461 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520229 (3.10336e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.086788991806466 (1.05595e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.086788981872505 (1.95289e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.086788979939785 (3.79949e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.086788979425324 (1.01137e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.08678897934362 (1.60621e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.086788979319496 (4.74244e-10% change) linmin: converged after 7 iterations. iteration 18: trace = 5.08678897930689 (2.47817e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.086788979301446 (1.07015e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.086788979299675 (3.48162e-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: 0.10655403137207031 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730386 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324761 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.26993472713482 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219364054 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518402 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149963 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537654 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.263325108730887 (0.00274585% change) linmin: converged after 4 iterations. iteration 9: trace = 5.263272539866865 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021759 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.263256795625344 (1.82199e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.263256607031202 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.26325655124804 (1.05986e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.26325652169353 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340478 (1.20706e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.263256513415705 (3.657e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.26325651276532 (1.23571e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.263256512526152 (4.5441e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.263256512381846 (2.74178e-09% change) linmin: converged after 9 iterations. iteration 22: trace = 5.26325651232001 (1.17486e-09% change) linmin: converged after 12 iterations. iteration 23: trace = 5.263256512296804 (4.40895e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.263256512290623 (1.17451e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.263256512288836 (3.39526e-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: 0.2500433921813965 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204127102 (1.34359% change) linmin: converged after 6 iterations. iteration 2: trace = 5.374437224942787 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703693116 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157768606 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623246565 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245623 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967514 (0.00155035% change) linmin: converged after 3 iterations. iteration 8: trace = 5.362962308859966 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.362928148998121 (0.000636961% change) linmin: converged after 3 iterations. iteration 10: trace = 5.362908167195373 (0.000372592% change) linmin: converged after 3 iterations. iteration 11: trace = 5.362897445563109 (0.000199922% change) linmin: converged after 4 iterations. iteration 12: trace = 5.362890832294617 (0.000123315% change) linmin: converged after 5 iterations. iteration 13: trace = 5.362888873060345 (3.65332e-05% change) linmin: converged after 7 iterations. iteration 14: trace = 5.362888159903101 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.36288793513736 (4.19113e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 5.362887877004739 (1.08398e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.362887858604061 (3.43111e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988805 (1.23353e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 5.362887849877579 (3.93673e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213499 (1.23829e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.362887849013037 (3.73796e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.362887848952668 (1.12567e-09% change) linmin: converged after 15 iterations. iteration 23: trace = 5.362887848922164 (5.68791e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.362887848904124 (3.36399e-10% change) linmin: converged after 8 iterations. iteration 25: trace = 5.362887848892487 (2.1699e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.362887848885795 (1.24775e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.362887848881175 (8.61533e-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: 0.14280033111572266 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864456241 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.432871450767584 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497950862 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175763688 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105681078299 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295323449 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176173507 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244037656 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483996931 (0.000992868% change) linmin: converged after 9 iterations. iteration 10: trace = 5.414576265051694 (0.000336479% change) linmin: converged after 3 iterations. iteration 11: trace = 5.414564861069562 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419970204 (0.000174365% change) linmin: converged after 5 iterations. iteration 13: trace = 5.414537376508554 (0.000333241% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055300009 (0.000680088% change) linmin: converged after 5 iterations. iteration 15: trace = 5.414478702495012 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543982 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541922 (2.58197e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 5.414470844198774 (8.98228e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.414470719354934 (2.30574e-06% change) linmin: converged after 6 iterations. iteration 20: trace = 5.414470681314289 (7.02574e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611979 (5.29801e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661455 (1.75552e-08% change) linmin: converged after 26 iterations. iteration 24: trace = 5.414470666362711 (5.51751e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.41447066626775 (1.75384e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.414470666221949 (8.45894e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 5.414470666193713 (5.21493e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.414470666171706 (4.06453e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 5.414470666155403 (3.01108e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 5.414470666140534 (2.74599e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39427e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 5.414470666102799 (3.57504e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.414470666086897 (2.93693e-10% change) linmin: converged after 9 iterations. iteration 34: trace = 5.414470666075441 (2.11592e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470666069086 (1.17369e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066691 (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: 0.1404581069946289 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4402896410505964 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814899 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009814 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255612 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.668912642435976 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699244 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993866 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155067 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.058030983248979 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945297 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555538 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814899) to band 3 (0.5781815082009814), 3.8486103613284535e-05% Gap from band 4 (0.8051999839699244) to band 5 (0.8170847453549143), 1.4651880980148324% Gap from band 7 (1.058030983248979) to band 8 (1.0660233597945297), 0.7525585747583696% total elapsed time for run: 2.116206407546997 done /tmp/meepWcFBDI/test_epsilon_input_file-0: 2.12s /tmp/meepWcFBDI/test_first_brillouin_zone-0 ======================== /tmp/meepWcFBDI/test_first_brillouin_zone-0: 0.09s /tmp/meepWcFBDI/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: 0.0002353191375732422 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 = 94.48114237152956 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174223 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 51.087%) iteration 3: trace = 83.3461110942817 (0.603338% change) iteration 4: trace = 83.33359978597117 (0.0150124% change) iteration 5: trace = 83.33333949085062 (0.000312354% change) switching back to exact line minimization iteration 6: trace = 83.3333335246606 (7.15943e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 83.33333333657039 (2.25708e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 83.33333333338273 (3.8252e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 83.33333333333454 (5.78268e-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: 0.0018858909606933594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334656 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333378 (1.55169e-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: 0.0012238025665283203 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.50098e-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: 0.0002548694610595703 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333331 (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: 0.00024056434631347656 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 87.3333333333333 (4.88159e-14% 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: 0.00023984909057617188 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666667 (1.55028e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0002338886260986328 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 61.3793%) iteration 1: trace = 90.66666666668115 (3.571% change) iteration 2: trace = 90.66666682539491 (1.75052e-07% change) iteration 3: trace = 90.66666666666676 (1.75068e-07% change) iteration 4: trace = 90.66666666666669 (7.83687e-14% 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: 0.0005347728729248047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 90.99999999999999 (3.12326e-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: 0.00023508071899414062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666666 (0% 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: 0.0002346038818359375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 95.6666666666667 (7.42728e-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: 0.00023412704467773438 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 99.99999999999997 (1.42109e-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: 0.00023126602172851562 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 91.33333333333334 (4.6678e-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: 0.0002510547637939453 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 32 iterations. iteration 1: trace = 85.33333333333334 (1.66533e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0005140304565429688 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 81.99999999999999 (1.73303e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.00023651123046875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 33 iterations. 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: 0.0005230903625488281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 83.33333333333337 (6.82121e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0002040863037109375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193134 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740652 at Vector3<0.5, 0.0, 0.0> to 2.88675134594814 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109072 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.8867513459481287 at Vector3<0.0, 0.0, 0.0> to 4.564354645876381 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.227486121839515 at Vector3<0.5, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136474 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 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: 0.007768869400024414 done /tmp/meepWcFBDI/test_fractional_lattice-0: 0.01s /tmp/meepWcFBDI/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: 0.002323627471923828 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2029275894165039 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6287589073181152 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13779497146606445 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1268632411956787 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1468043327331543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20893144607543945 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1736464500427246 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1477646827697754 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12752485275268555 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12303328514099121 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12178540229797363 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09664607048034668 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1120450496673584 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1540515422821045 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.18292450904846191 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3624236583709717 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.057204008102417 done Fixing b-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 ./tmp/meepWcFBDI/test_get_bfield-0: 3.06s /tmp/meepWcFBDI/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: 0.002396106719970703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20278596878051758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6282672882080078 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13767123222351074 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1274094581604004 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14749455451965332 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.4382045269012451 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17389369010925293 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14738059043884277 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12622666358947754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.1210787296295166 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12063097953796387 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09562206268310547 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11115455627441406 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15189504623413086 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1772611141204834 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3548455238342285 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.265164375305176 done Fixing d-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 8.66842 ./tmp/meepWcFBDI/test_get_dfield-0: 3.27s /tmp/meepWcFBDI/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: 0.002315044403076172 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20085382461547852 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6218268871307373 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.1363999843597412 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1259918212890625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14659476280212402 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2074284553527832 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1716468334197998 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14606332778930664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12594819068908691 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12381148338317871 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12079977989196777 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09585070610046387 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11087322235107422 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15172767639160156 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17754316329956055 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3561391830444336 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0227181911468506 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 ./tmp/meepWcFBDI/test_get_efield-0: 3.03s /tmp/meepWcFBDI/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: 0.002358675003051758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2025144100189209 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 = 5.581244026696142 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.56995152552675 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966676 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299227 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122074 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864465 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607943 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620312 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766403 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393761 (2.54861e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.56740918600368 (1.09636e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 5.567408898969301 (5.15562e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.567408776891896 (2.19271e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 5.567408723106274 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724667 (3.30164e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.567408695925312 (1.58051e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567408689562824 (1.14281e-07% change) linmin: converged after 17 iterations. iteration 22: trace = 5.567408680883077 (1.55903e-07% change) linmin: converged after 31 iterations. iteration 23: trace = 5.567408666017871 (2.67004e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 5.56740864508791 (3.75937e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614757078 (5.44793e-07% change) large trace change predicted (2.01086e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502819661 (2.01058e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.56693486043739 (0.00850777% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934555259857 (5.48197e-06% change) linmin: converged after 7 iterations. iteration 29: trace = 5.56693425006692 (5.48224e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933944957166 (5.48075e-06% change) linmin: converged after 8 iterations. iteration 31: trace = 5.566933640016629 (5.47771e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933335319326 (5.47334e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 5.5669330309281 (5.46784e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.566932726895606 (5.4614e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932423265312 (5.45418e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 5.566932120072209 (5.44632e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.566931817343742 (5.43798e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.566931515100503 (5.42926e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931213356984 (5.42028e-06% change) linmin: converged after 10 iterations. iteration 40: trace = 5.566930912122174 (5.41115e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930611400244 (5.40193e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930311190995 (5.39272e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.566930011490437 (5.38359e-06% change) linmin: converged after 9 iterations. iteration 44: trace = 5.566929712291165 (5.37458e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692941358289 (5.36576e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929115352653 (5.35718e-06% change) linmin: converged after 6 iterations. iteration 47: trace = 5.5669288175853 (5.34886e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928520263691 (5.34086e-06% change) linmin: converged after 20 iterations. iteration 49: trace = 5.56692822336899 (5.33319e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927926877312 (5.32595e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927630774402 (5.31896e-06% change) linmin: converged after 6 iterations. iteration 52: trace = 5.566927335034088 (5.31245e-06% change) linmin: converged after 8 iterations. iteration 53: trace = 5.566927039632925 (5.30636e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926744546773 (5.3007e-06% change) linmin: converged after 15 iterations. iteration 55: trace = 5.566926449750894 (5.29549e-06% change) linmin: converged after 7 iterations. iteration 56: trace = 5.566926155220064 (5.29073e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 5.56692586091689 (5.28664e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 5.56692556683918 (5.28259e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925272949043 (5.27922e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 5.56692497922032 (5.27632e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 5.56692468562678 (5.27389e-06% change) linmin: converged after 19 iterations. iteration 62: trace = 5.566924392142186 (5.27193e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 5.566924098738147 (5.27049e-06% change) linmin: converged after 9 iterations. iteration 64: trace = 5.566923805392279 (5.26944e-06% change) linmin: converged after 9 iterations. iteration 65: trace = 5.566923512077791 (5.26888e-06% change) linmin: converged after 4 iterations. iteration 66: trace = 5.566923218763344 (5.26888e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 5.566922925432871 (5.26917e-06% change) linmin: converged after 17 iterations. iteration 68: trace = 5.566922632056137 (5.27e-06% change) linmin: converged after 8 iterations. iteration 69: trace = 5.566922338604555 (5.27134e-06% change) resetting CG direction... large trace change predicted (0.0754143%) linmin: converged after 3 iterations. iteration 70: trace = 5.5627188003457 (0.0755377% change) linmin: converged after 4 iterations. iteration 71: trace = 5.55951675915148 (0.0575791% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793063836173 (0.0490036% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011904497825 (0.0500622% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006890937232 (0.0361068% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548871937139 (0.0262646% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458265999198 (0.0196505% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474846433315 (0.0177226% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115077972344 (0.0245101% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523628659596 (0.0338754% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229121413231 (0.0362028% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884475701533 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240160712467 (0.011627% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832168077685 (0.00736311% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632125548846 (0.0036104% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551231154214 (0.00146003% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517985745137 (0.00060004% change) linmin: converged after 4 iterations. iteration 87: trace = 5.540507596396329 (0.000187516% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182448759 (7.96669e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.54050152277379 (2.99553e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791083659 (1.32062e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 5.540500269608606 (9.41206e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 5.540499832688833 (7.88593e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529914628 (5.46475e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499207608343 (5.81728e-06% change) linmin: converged after 4 iterations. iteration 95: trace = 5.540498785548327 (7.61773e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 5.540498246190876 (9.73482e-06% change) linmin: converged after 18 iterations. iteration 97: trace = 5.540497716426146 (9.56168e-06% change) linmin: converged after 13 iterations. iteration 98: trace = 5.540497529977341 (3.3652e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 5.54049743339906 (1.74313e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373202824 (1.08648e-06% change) linmin: converged after 32 iterations. iteration 101: trace = 5.540497320990592 (9.42374e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282516513 (6.94416e-07% change) linmin: converged after 3 iterations. iteration 103: trace = 5.5404972604355 (3.98538e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242228 (1.83978e-07% change) linmin: converged after 3 iterations. iteration 105: trace = 5.540497245841662 (7.94255e-08% change) linmin: converged after 21 iterations. iteration 106: trace = 5.540497244298291 (2.78562e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 5.540497243577751 (1.3005e-08% change) linmin: converged after 5 iterations. iteration 108: trace = 5.540497243252182 (5.87617e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 5.540497243063411 (3.40711e-09% change) linmin: converged after 11 iterations. iteration 110: trace = 5.540497242957938 (1.90369e-09% change) linmin: converged after 14 iterations. iteration 111: trace = 5.540497242914435 (7.85182e-10% change) linmin: converged after 18 iterations. iteration 112: trace = 5.540497242879466 (6.31143e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.540497242844094 (6.38421e-10% change) linmin: converged after 12 iterations. iteration 114: trace = 5.540497242790258 (9.71683e-10% change) linmin: converged after 6 iterations. iteration 115: trace = 5.54049724272314 (1.21141e-09% change) linmin: converged after 8 iterations. iteration 116: trace = 5.540497242658429 (1.16798e-09% change) linmin: converged after 8 iterations. iteration 117: trace = 5.540497242618874 (7.13926e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597721 (3.81786e-10% change) linmin: converged after 9 iterations. iteration 119: trace = 5.540497242587056 (1.9248e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581508 (1.00144e-10% change) linmin: converged after 3 iterations. iteration 121: trace = 5.540497242579404 (3.79766e-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: 0.6277351379394531 Fixing h-field (band 1) phase by -1 + 2.59196e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113305i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.00042147 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253904 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07774e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000413923 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53936e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135076i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081912735 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029234255 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358022373 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769753 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599976 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472755 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717482 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903562 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644883 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.4993762033544 (3.5482e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.499375450158941 (1.3696e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 5.499375151065382 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510654 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565675 (8.71826e-07% change) linmin: converged after 15 iterations. iteration 15: trace = 5.499374952684465 (2.88782e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.499374947904283 (8.69223e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.499374946845073 (1.92606e-08% change) linmin: converged after 12 iterations. iteration 18: trace = 5.49937494658543 (4.72132e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.499374946459588 (2.2883e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.499374946407668 (9.44096e-10% change) linmin: converged after 19 iterations. iteration 21: trace = 5.499374946373181 (6.27109e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.499374946343334 (5.42739e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.499374946309957 (6.06921e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.92619e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.499374946279794 (1.55869e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 5.499374946276076 (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: 0.13758087158203125 Fixing h-field (band 1) phase by 1 + -4.11211e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.18691e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10145e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.20776e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.6245e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.00697e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37777e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09856e-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 = 5.496167070070871 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109189892 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111949631 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.48620498397351 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583343 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149527 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235778 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634514 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450181 (0.000140848% change) linmin: converged after 4 iterations. iteration 10: trace = 5.485459952535457 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302672 (1.14345e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.48545917574072 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224528 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856751 (4.07765e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 5.485459090161691 (1.94971e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 5.485459083892914 (1.1428e-07% change) linmin: converged after 12 iterations. iteration 17: trace = 5.485459081556672 (4.25897e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.485459080639322 (1.67233e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.485459080258168 (6.94844e-09% change) linmin: converged after 8 iterations. iteration 20: trace = 5.485459080162864 (1.73738e-09% change) linmin: converged after 13 iterations. iteration 21: trace = 5.485459080117773 (8.22027e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.485459080098437 (3.52489e-10% change) linmin: converged after 12 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 9 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.12766051292419434 Fixing h-field (band 1) phase by 1 + 7.27662e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.75672e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.58731e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.10146e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 7.48903e-14 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93784e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -7.28198e-15i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50861e-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 = 5.51814702369337 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601572258 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987795894 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809298712 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436915 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668655 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729355 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832024 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535183 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.50437554271546 (0.000137015% change) linmin: converged after 9 iterations. iteration 11: trace = 5.504370385451024 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323749 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496844 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098141 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277645 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575557 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909876 (8.29627e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18184e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.504362093490907 (4.04374e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 5.504362092750767 (1.34464e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362588 (7.05221e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126024 (4.29776e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.504362092030187 (1.7411e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.50436209199531 (6.33625e-10% change) linmin: converged after 8 iterations. iteration 27: trace = 5.504362091984245 (2.01037e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.504362091981032 (5.83636e-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: 0.14809679985046387 Fixing h-field (band 1) phase by 1 + -8.61367e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + 2.17749e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + -8.71241e-16i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 4.08968e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by -3.61395e-15 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 7.56423e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + 1.39588e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.95411e-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 = 5.568069373816318 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619865 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373227 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177998 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180035 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600295 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565376 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740506 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685006 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443201 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714547 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259593 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189764 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.53895324369348 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652963 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689268 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647876 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294864 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.53886874432779 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.53886825429513 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490537 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344406 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765345 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460344 (2.49699e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.538867282536012 (1.9846e-06% change) linmin: converged after 4 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786909 (1.60285e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 5.538866990688325 (2.11413e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.5388669041542 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877340359 (4.84103e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035871 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549307 (2.68388e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089929 (8.29372e-09% change) linmin: converged after 7 iterations. iteration 34: trace = 5.538866868883883 (3.72e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762653 (2.1887e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.538866868693191 (1.2541e-09% change) linmin: converged after 12 iterations. iteration 37: trace = 5.538866868641603 (9.31383e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.538866868615256 (4.75674e-10% change) linmin: converged after 7 iterations. iteration 39: trace = 5.538866868605687 (1.72749e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600131 (1.00317e-10% change) linmin: converged after 2 iterations. iteration 41: trace = 5.538866868590843 (1.67682e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573515 (3.1285e-10% change) linmin: converged after 6 iterations. iteration 43: trace = 5.538866868559317 (2.56326e-10% change) linmin: converged after 9 iterations. iteration 44: trace = 5.538866868553973 (9.64849e-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: 0.2312910556793213 Fixing h-field (band 1) phase by 1 + -2.17709e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + -9.39832e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 3.36734e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 5.72936e-13 + 1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -2.13775e-14 + 1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by -1 + -1.92578e-13i; max ampl. = 2.6134 Fixing h-field (band 7) phase by -1 + -1.40874e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by -1.50064e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033708607 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081940874 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780905983 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922742178 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451084676 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496869441 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757031515 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599908 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279247 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885109827 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680857 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901289 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149677876 (1.5395e-05% change) linmin: converged after 14 iterations. iteration 15: trace = 5.41979785096519 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322774 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.41979774854671 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573494 (1.84015e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608413 (5.47083e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 5.419797734088994 (2.80346e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.419797733507753 (1.07244e-08% change) linmin: converged after 11 iterations. iteration 22: trace = 5.419797733261657 (4.54069e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151178 (2.03843e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.419797733102885 (8.91047e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077015 (4.77324e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.419797733054166 (4.21589e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.419797733031991 (4.09151e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.419797733016724 (2.81688e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 5.419797733003427 (2.4534e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 5.41979773298945 (2.57893e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.41979773297386 (2.87636e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963336 (1.94177e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 5.419797732958386 (9.13285e-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: 0.17615818977355957 Fixing h-field (band 1) phase by 1 + 9.26554e-17i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 2.48815e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -3.24415e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -1.08653e-12 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by 4.42481e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -3.3919e-15 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 1.80361e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + -7.31887e-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 = 5.256818585099758 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.24551634518381 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628589481 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.24180777357221 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212926 (0.0113242% change) linmin: converged after 5 iterations. iteration 6: trace = 5.241004235880112 (0.00400633% change) linmin: converged after 6 iterations. iteration 7: trace = 5.24090844957361 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741597576 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765961 (0.000218625% change) linmin: converged after 6 iterations. iteration 10: trace = 5.240855477877319 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.240854364699087 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786511 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321846 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364846 (2.66312e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.240853950743163 (6.91048e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.24085394955503 (2.26706e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.240853949179419 (7.16697e-09% change) linmin: converged after 11 iterations. iteration 18: trace = 5.240853949031682 (2.81895e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.240853948976925 (1.04481e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939869 (7.07054e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883505 (1.07549e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 5.240853948833737 (9.49603e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802551 (5.95067e-10% change) linmin: converged after 2 iterations. iteration 24: trace = 5.240853948778208 (4.64472e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.240853948757245 (4.00005e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.240853948742306 (2.85035e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735851 (1.23172e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 5.240853948733919 (3.68771e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.14719128608703613 Fixing h-field (band 1) phase by 1 + 1.45418e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 1.63045e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -1.06411e-12i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -4.43928e-13 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -8.05484e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by 1.24957e-14 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 7.72344e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -5.96307e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913074 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052861 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866152 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833585 (0.00623852% change) linmin: converged after 4 iterations. iteration 5: trace = 5.096616721986506 (0.00298415% change) linmin: converged after 3 iterations. iteration 6: trace = 5.096573167031526 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466495 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120982 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978202 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143694 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283726 (4.11769e-06% change) linmin: converged after 6 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 4 iterations. iteration 14: trace = 5.096544274637564 (5.93032e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956444 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766988 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16756e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672401 (6.88352e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.096544273621826 (9.92332e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.46274e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463905 (1.63586e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426187 (7.40058e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29462e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410628 (7.58252e-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: 0.1264493465423584 Fixing h-field (band 1) phase by -1 + 7.72062e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.00345e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -1.78409e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by 2.50372e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -2.05216e-11 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by 1.09414e-14 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by 9.25488e-12 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 3.49153e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910288 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696209 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252313 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190494 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 4 iterations. iteration 6: trace = 5.006443503180208 (0.00033539% change) linmin: converged after 5 iterations. iteration 7: trace = 5.006439503863525 (7.98834e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.0064369693107 (1.27243e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.006436539138806 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297347 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318629 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214727 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.0285e-09% change) linmin: converged after 18 iterations. iteration 16: trace = 5.00643649671343 (1.98455e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.006436496673627 (7.95051e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.006436496632916 (8.13164e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 9 iterations. iteration 19: trace = 5.006436496522669 (2.2021e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 5.00643649641007 (2.24908e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.00643649635725 (1.05504e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344436 (2.55963e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341387 (6.09039e-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: 0.12161469459533691 Fixing h-field (band 1) phase by 1 + 3.42127e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + 6.14564e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 2.28033e-15i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -7.73289e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by 8.72097e-15 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by 1.69436e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by 1.13855e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + -6.03866e-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 = 4.978993750422806 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350141996 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874764 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931417 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362132 (0.00104494% change) linmin: converged after 4 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125747 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211389 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705348 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802611 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162574 (2.67868e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.975984265893698 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48915e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774335 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706847 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48825e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.975984265426868 (2.13835e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.975984265393333 (6.73954e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384499 (1.77529e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381785 (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: 0.12137055397033691 Fixing h-field (band 1) phase by 1 + 7.36552e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 4.17197e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -4.06954e-14 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by -1 + 3.38965e-12i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -6.58167e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by -6.40383e-12 + -1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by 6.73523e-13 + 1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + -1.24388e-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 = 5.042733647627905 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.03821969484112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213696 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550621 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959926 (0.000130166% change) linmin: converged after 6 iterations. iteration 8: trace = 5.036379322251289 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.036378780323869 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422625 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300781 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106157 (2.61986e-07% change) linmin: converged after 21 iterations. iteration 13: trace = 5.03637848091119 (6.34378e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.03637848012837 (1.55433e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954637 (3.44956e-09% change) linmin: converged after 12 iterations. iteration 16: trace = 5.036378479909361 (8.98975e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25167e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.036378479895267 (5.46869e-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: 0.09593939781188965 Fixing h-field (band 1) phase by 1 + -7.70041e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + 7.53608e-17i; max ampl. = 3.10702 Fixing h-field (band 3) phase by 3.40781e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by 6.12323e-17 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -2.05963e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by 6.3636e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 2.94781e-15 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + -2.5476e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352138159 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254307128 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459510808 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191115652 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346471 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445303 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487645 (0.00102469% change) linmin: converged after 6 iterations. iteration 8: trace = 5.206579319181454 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211527 (0.000152211% change) linmin: converged after 3 iterations. iteration 10: trace = 5.20656782167057 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448369 (2.07473e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.20656633373729 (1.95434e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.206566308082147 (9.81449e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.206566306507284 (3.02476e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.206566306040199 (8.97108e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.206566305927629 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900047 (5.29744e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893732 (1.21288e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891689 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11112689971923828 Fixing h-field (band 1) phase by 1 + -5.58261e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -2.34457e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -7.66503e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.33288e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -2.382e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 6.78683e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -5.75708e-14 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + -1.2644e-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 = 5.468255756292657 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812735534 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622407665 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.42424235654964 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.41993763097091 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855434 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333782 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574927 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397929 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811523 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895454 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169105 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745809 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207654 (2.46482e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.417088812132389 (8.50554e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.41708878874494 (4.31735e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.417088776389816 (2.28077e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.417088770680242 (1.05399e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 5.417088768321153 (4.3549e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.4170887673702 (1.75547e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.417088766928406 (8.15556e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.417088766681363 (4.56043e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.417088766554597 (2.34012e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.417088766462989 (1.6911e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 5.417088766423704 (7.25205e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412552 (2.05866e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409226 (6.14025e-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: 0.1520531177520752 Fixing h-field (band 1) phase by 1 + 7.83277e-17i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -6.80442e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -1.77698e-10 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -6.02353e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 2.22567e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 1.53823e-14 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + -7.14433e-16i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.27878e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178967882 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902376155 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.53436364071263 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158872 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091459 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860509 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216132 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667832 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465952 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191251 (0.00170514% change) linmin: converged after 4 iterations. iteration 12: trace = 5.522358366920852 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787115996 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461785 (0.000382933% change) linmin: converged after 8 iterations. iteration 15: trace = 5.522271218167428 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549703 (4.70571e-05% change) linmin: converged after 21 iterations. iteration 17: trace = 5.522267958291811 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808313 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563233 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644063 (4.3314e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656937775 (1.93875e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 5.522267653032078 (7.07263e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435053 (4.70282e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.522267648929259 (2.72677e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.52226764812229 (1.4613e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457979 (1.20297e-08% change) linmin: converged after 15 iterations. iteration 27: trace = 5.522267646822541 (1.15068e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 5.522267646290376 (9.6367e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 5.522267645965349 (5.88575e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.522267645803391 (2.93283e-09% change) linmin: converged after 8 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679256 (6.79644e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 5.522267645667595 (2.11161e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664738 (5.17409e-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: 0.17858219146728516 Fixing h-field (band 1) phase by 1 + -2.24746e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + -8.20455e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 6.41721e-11 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by 1.61554e-15 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.89531e-09i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -5.42401e-14 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 8.12773e-11 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -3.01935e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343681268 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468795469 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640938077 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172740513 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736262796 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107767023 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885896566 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656417894 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.56934593894843 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951398914 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880776499 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664428617 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502529813 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283163975 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673125698 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201648011 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388850434 (0.0149469% change) linmin: converged after 6 iterations. iteration 18: trace = 5.563783784855474 (0.0166348% change) linmin: converged after 10 iterations. iteration 19: trace = 5.562668008469949 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.561318637387376 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630785072 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314618230623 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244589915 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586703041 (0.0210687% change) linmin: converged after 8 iterations. iteration 25: trace = 5.554798720814321 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114025922 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035791748 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676807584 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838085692 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969911687 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060831618 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956840592 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590311603 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526652475 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677273884 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325043186 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188937643 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717811505 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390744881468 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430439613 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903415816 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421727162 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461589668 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756630373 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477240853 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231201827 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437652502 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430639845 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300262954 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831633436 (0.00116173% change) linmin: converged after 4 iterations. iteration 51: trace = 5.549246789370926 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392816679 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424392347 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954055986 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.5490292143472 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603366111 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441403325 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438444539 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472283712 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214262443 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940433266 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719068287 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070050343 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460509861 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157875859 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.54859878279734 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723830033 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.54854440330535 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919650476 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976715699 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222534932 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081083838 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788144 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.54814837577537 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475251 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893005 (5.0622e-05% change) linmin: converged after 5 iterations. iteration 77: trace = 5.548138837046116 (5.45741e-05% change) linmin: converged after 11 iterations. iteration 78: trace = 5.548134589430315 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746381995 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318916 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939113502 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802675 (3.47741e-05% change) linmin: converged after 7 iterations. iteration 83: trace = 5.548118262534327 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882077 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015931 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686938 (1.08738e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 5.548117729428218 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415629 (5.42993e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 5.548117725588924 (1.49006e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372854 (3.89447e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.54811772533483 (6.85346e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327073 (1.39803e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725325008 (3.72361e-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: 0.36521005630493164 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.25583e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 5.68529e-12 + -1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 9.6327e-10 + -1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + -5.63795e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 4.83614e-11 + 1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 8.42764e-11 + 1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -2.27851e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448987 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254435 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160888 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117834 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.824181444350217 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855879 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660681 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594136 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052707 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556924 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160888) to band 3 (0.5931535863117834), 0.0022038709776706538% Gap from band 4 (0.8096891551677092) to band 5 (0.824181444350217), 1.773982491243031% Gap from band 7 (1.0860729323594136) to band 8 (1.0878689635052707), 0.16523267243467563% total elapsed time for run: 3.08490252494812 done /tmp/meepWcFBDI/test_get_eigenvectors-0: 3.10s /tmp/meepWcFBDI/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: 0.002369403839111328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20675039291381836 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.637631893157959 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13687634468078613 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1265110969543457 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1465892791748047 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.207780122756958 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17255377769470215 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14679408073425293 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1262965202331543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.14064764976501465 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12096953392028809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09575891494750977 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11145138740539551 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15199041366577148 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17776870727539062 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.35585832595825195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0656063556671143 done Fixing h-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 ./tmp/meepWcFBDI/test_get_hfield-0: 3.07s /tmp/meepWcFBDI/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: 0.0026068687438964844 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 = 13.46696798403984 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549283 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222894 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441991 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792539 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692736 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908762 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57898729516393 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448072 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.57800394246301 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 9 iterations. iteration 12: trace = 4.577907037545215 (0.000494028% change) linmin: converged after 8 iterations. iteration 13: trace = 4.577897255801732 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336268 (4.739e-05% change) linmin: converged after 8 iterations. iteration 15: trace = 4.577894696365669 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935435 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221524 (1.68503e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 4.577894627568729 (3.61038e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.57789462693918 (1.37519e-08% change) linmin: converged after 18 iterations. iteration 20: trace = 4.577894626693615 (5.36415e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612567 (1.77042e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 4.577894626584479 (6.13552e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574832 (2.10739e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.0949258804321289 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720699 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580821 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889154 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259337 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078166 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887483 (0.000982783% change) linmin: converged after 7 iterations. iteration 7: trace = 4.546668812199727 (0.0001536% change) linmin: converged after 7 iterations. iteration 8: trace = 4.546667474444717 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982201 (8.36794e-06% change) linmin: converged after 7 iterations. iteration 10: trace = 4.546667026314636 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167325 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947757 (9.28057e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173661 (3.90197e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.546667003528524 (1.41892e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.546667003425867 (2.25786e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 4.546667003411081 (3.25214e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.546667003406387 (1.03241e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.0959014892578125 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501468168 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577210606 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622002 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935342 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102503 (0.00439222% change) linmin: converged after 5 iterations. iteration 6: trace = 4.456776714934253 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362194 (9.95243e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.456771848143084 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.456771805503853 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.45677179920128 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345363 (4.16426e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664024 (1.52877e-08% change) linmin: converged after 11 iterations. iteration 13: trace = 4.456771796571513 (2.07574e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.45677179656453 (1.567e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.08054256439208984 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410677 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668844 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944971 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 18 iterations. iteration 5: trace = 4.364572744594438 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346532 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740356 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126186 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500089 (1.05992e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.364565233724123 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381509 (7.8499e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.364565233306725 (1.71345e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299629 (1.62574e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.07539606094360352 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604918 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984221 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865025 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804955 (0.00300988% change) linmin: converged after 8 iterations. iteration 5: trace = 4.304072509722037 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.304069984297113 (3.09852e-06% change) linmin: converged after 6 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945508 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779026 (2.71018e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479557 (6.95781e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440698 (9.02836e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.07028460502624512 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238573 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328345 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492495 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283478596024278 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458745 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817818 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770441 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633836 (3.18912e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.283477065618206 (3.64874e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.0700383186340332 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825646 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994837 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548921 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181727 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738404 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967131 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.26447463125734 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203497 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.0651857852935791 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565436 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.22865588220403 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100099 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.22859715634384 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507818 (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 = 4.228595653669721 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.22859565236188 (3.09285e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271402 (2.13967e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.228595652264815 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264469 (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: 0.0659637451171875 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849337 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159212 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731933 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660906 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831921 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279781 (1.31569e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.196577821233549 (1.10165e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.196577821229713 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.05469799041748047 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862598 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.17565818867784 (0.00176593% change) linmin: converged after 5 iterations. iteration 4: trace = 4.175652343488817 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.1756518236398 (1.24495e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.175651765087072 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12887e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 4.175651761333514 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.0550532341003418 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974871 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847986 (0.0167552% change) linmin: converged after 4 iterations. iteration 3: trace = 4.168418925223789 (0.00180428% change) linmin: converged after 6 iterations. iteration 4: trace = 4.168412151727343 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528163 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634321 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651689 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612858 (9.31536e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.04969429969787598 Fixing e-field (band 1) phase by -1 + 4.11972e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11972e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11972e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11971e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11971e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11972e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.20121840786123 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.19789056484254 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510746 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525586 (8.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.197854052380289 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415343 (4.68084e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.197854050317018 (2.34227e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70448e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 4.197854050309301 (1.33718e-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: 0.0598750114440918 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338978 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299241 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838013 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693611 (0.000317844% change) linmin: converged after 8 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283266497834248 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102655 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35676e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283266488991162 (2.2144e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.06504297256469727 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060167 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426061 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016641 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711946 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698955 (2.90272e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.41010227730954 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815388 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.41010227456198 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546351 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545242 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.0700228214263916 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210157 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258574 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323367 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553314 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244497 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738528 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347482 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393304 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423111 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208911 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91744e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.534517622906269 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781566 (2.75008e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 4.534517622760762 (4.58788e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.534517622757207 (7.8407e-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: 0.09096097946166992 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274226 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330621 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379701 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189923 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795436 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.577895724955972 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564438 (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 = 4.577894631981876 (3.39511e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684428 (1.91275e-08% change) linmin: converged after 9 iterations. iteration 14: trace = 4.577894626586343 (2.14258e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894626573655 (2.77169e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.55905e-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: 0.06360220909118652 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: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797752 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585154 at Vector3<0.0, 0.0, 0.0> to 0.79071959744437 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327578 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537574 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443272 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903449 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739198 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664854 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156912 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.44533108084715833), 47.39883483854658% Gap from band 3 (0.5605607947797752) to band 4 (0.5932960873585154), 5.674064623695132% Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443272), 0.017162047272568082% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% total elapsed time for run: 1.1327757835388184 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), (-3.21911e-16, -1.85856e-16, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, 1.239037099e-16 0.5, -0.8660254038, 6.162975822e-33 -0, -0, 1 ] Output data 96x83x1. real part range: -1.28776e-16 .. 1.28232e-16 imag part range: -1.34431e-16 .. 1.34431e-16 real part range: -6.40531e-33 .. 6.37826e-33 imag part range: -6.6866e-33 .. 6.6866e-33 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepWcFBDI/test_handle_cvector-0: 1.16s /tmp/meepWcFBDI/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: 0.0024225711822509766 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 = 46.67690825536724 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192883 (76.4036% change) linmin: converged after 8 iterations. iteration 3: trace = 17.90281367460536 (15.3151% change) linmin: converged after 5 iterations. iteration 4: trace = 16.44745359328845 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623733962 (5.44878% change) linmin: converged after 6 iterations. iteration 6: trace = 14.93685931304161 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.6642720423854 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803968890144 (4.36364% change) linmin: converged after 7 iterations. iteration 9: trace = 13.72475703230828 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496720838288 (2.05957% change) linmin: converged after 8 iterations. iteration 11: trace = 13.08709457833076 (2.69766% change) linmin: converged after 7 iterations. iteration 12: trace = 12.85444592161788 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657794169911 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678334694398 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712733214687 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612629685 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973440430865 (4.50169% change) linmin: converged after 7 iterations. iteration 18: trace = 10.44959833569534 (4.30852% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119540060209 (4.9371% change) linmin: converged after 7 iterations. iteration 20: trace = 9.604108791664109 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211123484152 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783565157505 (3.49506% change) linmin: converged after 7 iterations. iteration 23: trace = 8.366907733160536 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023129630649 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859441174819 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505494838914745 (3.34546% change) linmin: converged after 5 iterations. iteration 27: trace = 7.127998856252624 (5.15934% change) linmin: converged after 5 iterations. iteration 28: trace = 6.950727364282369 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207301796501 (2.36583% change) linmin: converged after 7 iterations. iteration 30: trace = 6.663378805293 (1.85597% change) linmin: converged after 7 iterations. iteration 31: trace = 6.387397182387314 (4.22935% change) linmin: converged after 6 iterations. iteration 32: trace = 6.077629847705458 (4.97018% change) linmin: converged after 7 iterations. iteration 33: trace = 5.845265334656275 (3.89779% change) linmin: converged after 6 iterations. iteration 34: trace = 5.676182059545331 (2.9351% change) linmin: converged after 7 iterations. iteration 35: trace = 5.53382419931804 (2.53984% change) linmin: converged after 7 iterations. iteration 36: trace = 5.376188047914169 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316162613289 (2.10276% change) linmin: converged after 7 iterations. iteration 38: trace = 5.138003220736745 (2.42855% change) linmin: converged after 5 iterations. iteration 39: trace = 5.056109291094632 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406377174876 (1.79003% change) linmin: converged after 5 iterations. iteration 41: trace = 4.865793978438217 (2.04659% change) linmin: converged after 7 iterations. iteration 42: trace = 4.755591642349867 (2.29078% change) linmin: converged after 7 iterations. iteration 43: trace = 4.669631141275337 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618920018536064 (1.09191% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826430313603 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268851661238 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855989636096 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172890560303 (1.45863% change) linmin: converged after 7 iterations. iteration 49: trace = 4.348894242465402 (1.21765% change) linmin: converged after 5 iterations. iteration 50: trace = 4.277264550045729 (1.66076% change) linmin: converged after 6 iterations. iteration 51: trace = 4.218023611589609 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509369255991 (1.49314% change) linmin: converged after 5 iterations. iteration 53: trace = 4.094398095323595 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043110125483 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502591051529 (1.95746% change) linmin: converged after 6 iterations. iteration 56: trace = 3.850088375168546 (1.86332% change) linmin: converged after 6 iterations. iteration 57: trace = 3.79182190494071 (1.52492% change) linmin: converged after 8 iterations. iteration 58: trace = 3.753050708175629 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648715766261 (0.893974% change) linmin: converged after 4 iterations. iteration 60: trace = 3.691349161628618 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517621869111 (0.702243% change) linmin: converged after 6 iterations. iteration 62: trace = 3.642774855420293 (0.622382% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632198238391 (0.582089% change) linmin: converged after 4 iterations. iteration 64: trace = 3.604354260021029 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974689905482 (0.427606% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630758285028 (0.372496% change) linmin: converged after 5 iterations. iteration 67: trace = 3.563562063218129 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359824098108 (0.343004% change) linmin: converged after 5 iterations. iteration 69: trace = 3.539576051610162 (0.332362% change) resetting CG direction... large trace change predicted (2.94866%) linmin: converged after 5 iterations. iteration 70: trace = 3.43140499131233 (3.10347% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606590135863 (1.96581% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178726336522 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511336247125 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.308395783880612 (0.576125% change) linmin: converged after 3 iterations. iteration 75: trace = 3.303101951082448 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500147924249 (0.230406% change) linmin: converged after 4 iterations. iteration 77: trace = 3.288073494218269 (0.225612% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432521626258 (0.202176% change) linmin: converged after 4 iterations. iteration 79: trace = 3.268340919540571 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337114672277 (0.153217% change) large trace change predicted (0.72975%) linmin: converged after 4 iterations. iteration 81: trace = 3.23991672501118 (0.720267% change) linmin: converged after 5 iterations. iteration 82: trace = 3.220325251541438 (0.606524% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541287867602 (0.678748% change) linmin: converged after 4 iterations. iteration 84: trace = 3.17752177586425 (0.659326% change) linmin: converged after 4 iterations. iteration 85: trace = 3.158689388465458 (0.594437% change) linmin: converged after 5 iterations. iteration 86: trace = 3.124351592707441 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938141938553 (0.269649% change) large trace change predicted (0.805531%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192442732527 (0.797331% change) linmin: converged after 4 iterations. iteration 89: trace = 3.081043288785844 (0.328865% change) linmin: converged after 3 iterations. iteration 90: trace = 3.068578042634052 (0.405399% change) linmin: converged after 4 iterations. iteration 91: trace = 3.05893582606971 (0.314719% change) linmin: converged after 4 iterations. iteration 92: trace = 3.051808505676477 (0.233272% change) linmin: converged after 4 iterations. iteration 93: trace = 3.039400884692486 (0.407394% change) linmin: converged after 5 iterations. iteration 94: trace = 3.03643576168697 (0.0976038% change) large trace change predicted (0.2892%) linmin: converged after 4 iterations. iteration 95: trace = 3.02768931482799 (0.288465% change) linmin: converged after 4 iterations. iteration 96: trace = 3.025436144110787 (0.0744465% change) linmin: converged after 4 iterations. iteration 97: trace = 3.022123368815129 (0.109557% change) linmin: converged after 6 iterations. iteration 98: trace = 3.019557698924951 (0.0849323% change) linmin: converged after 6 iterations. iteration 99: trace = 3.017617446743151 (0.0642768% change) large trace change predicted (0.199217%) linmin: converged after 4 iterations. iteration 100: trace = 3.011702771527102 (0.196197% change) linmin: converged after 4 iterations. iteration 101: trace = 3.008822254703602 (0.0956899% change) large trace change predicted (0.494584%) linmin: converged after 5 iterations. iteration 102: trace = 2.993101151728891 (0.523869% change) large trace change predicted (2.76672%) linmin: converged after 11 iterations. iteration 103: trace = 2.971608015753197 (0.720677% change) linmin: converged after 5 iterations. iteration 104: trace = 2.966425899954874 (0.17454% change) linmin: converged after 6 iterations. iteration 105: trace = 2.96257669493133 (0.129843% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663257071091 (0.0983897% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613818931899 (0.0692696% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027859147077 (0.0536373% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446262255319 (0.0535184% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644472712724 (0.0610043% change) linmin: converged after 4 iterations. iteration 111: trace = 2.950800139032153 (0.0624833% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162130493981 (0.0555261% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680179162354 (0.0502625% change) linmin: converged after 4 iterations. iteration 114: trace = 2.946173627166866 (0.0511228% change) linmin: converged after 5 iterations. iteration 115: trace = 2.944665302838406 (0.0512092% change) linmin: converged after 5 iterations. iteration 116: trace = 2.943386599917007 (0.0434338% change) linmin: converged after 7 iterations. iteration 117: trace = 2.942362600759449 (0.0347959% change) linmin: converged after 5 iterations. iteration 118: trace = 2.941371914019959 (0.0336754% change) linmin: converged after 7 iterations. iteration 119: trace = 2.940246356051403 (0.0382738% change) linmin: converged after 5 iterations. iteration 120: trace = 2.939085447481339 (0.0394912% change) linmin: converged after 5 iterations. iteration 121: trace = 2.93804877444158 (0.0352782% change) linmin: converged after 5 iterations. iteration 122: trace = 2.937029430605607 (0.0347006% change) linmin: converged after 5 iterations. iteration 123: trace = 2.935784721655439 (0.0423888% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266246743777 (0.0517363% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753222881989 (0.0515773% change) linmin: converged after 4 iterations. iteration 126: trace = 2.931392725594316 (0.0464005% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045582241591 (0.0459663% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604606554885 (0.0491914% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186044598703 (0.0484499% change) linmin: converged after 4 iterations. iteration 130: trace = 2.925925806016588 (0.0430622% change) linmin: converged after 4 iterations. iteration 131: trace = 2.924737759907959 (0.0406124% change) linmin: converged after 4 iterations. iteration 132: trace = 2.923386790218524 (0.0462018% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694313498674 (0.0579111% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767162436941 (0.0659818% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917895888518728 (0.0641104% change) linmin: converged after 4 iterations. iteration 136: trace = 2.916178903274822 (0.0588606% change) linmin: converged after 4 iterations. iteration 137: trace = 2.914507166859788 (0.0573427% change) linmin: converged after 4 iterations. iteration 138: trace = 2.912775253249505 (0.0594416% change) linmin: converged after 4 iterations. iteration 139: trace = 2.911010229440194 (0.0606143% change) resetting CG direction... large trace change predicted (0.793816%) linmin: converged after 4 iterations. iteration 140: trace = 2.88844286617344 (0.778258% change) large trace change predicted (2.41104%) linmin: converged after 6 iterations. iteration 141: trace = 2.824394010468193 (2.24228% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788317854320349 (1.28552% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760123062814913 (1.01631% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747301498414927 (0.46561% change) linmin: converged after 4 iterations. iteration 145: trace = 2.742808185247694 (0.163688% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559057992827 (0.228097% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734949954928136 (0.0588175% change) linmin: converged after 9 iterations. iteration 148: trace = 2.73208206711174 (0.104916% change) linmin: converged after 11 iterations. iteration 149: trace = 2.731339909529729 (0.0271682% change) large trace change predicted (0.0664702%) linmin: converged after 5 iterations. iteration 150: trace = 2.729521868312458 (0.0665844% change) linmin: converged after 4 iterations. iteration 151: trace = 2.728914280540489 (0.0222623% change) linmin: converged after 10 iterations. iteration 152: trace = 2.727938272906082 (0.0357718% change) linmin: converged after 3 iterations. iteration 153: trace = 2.727649036751356 (0.0106033% change) large trace change predicted (0.0314688%) linmin: converged after 4 iterations. iteration 154: trace = 2.726791637194423 (0.0314386% change) linmin: converged after 4 iterations. iteration 155: trace = 2.726413929138946 (0.0138527% change) large trace change predicted (0.0747453%) linmin: converged after 4 iterations. iteration 156: trace = 2.724394801146996 (0.0740854% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687813595153 (0.0259536% change) linmin: converged after 4 iterations. iteration 158: trace = 2.72256379934313 (0.0412766% change) linmin: converged after 4 iterations. iteration 159: trace = 2.721742412793993 (0.0301741% change) linmin: converged after 4 iterations. iteration 160: trace = 2.720172303979459 (0.0577043% change) linmin: converged after 5 iterations. iteration 161: trace = 2.719126625188194 (0.038449% change) large trace change predicted (0.105583%) linmin: converged after 4 iterations. iteration 162: trace = 2.716259758957813 (0.105489% change) linmin: converged after 7 iterations. iteration 163: trace = 2.7152929356471 (0.0356003% change) large trace change predicted (0.139371%) linmin: converged after 5 iterations. iteration 164: trace = 2.711485705061356 (0.140313% change) linmin: converged after 7 iterations. iteration 165: trace = 2.710549085169562 (0.0345486% change) large trace change predicted (0.0881543%) linmin: converged after 4 iterations. iteration 166: trace = 2.70814033796586 (0.0889052% change) linmin: converged after 5 iterations. iteration 167: trace = 2.707016162373745 (0.0415196% change) linmin: converged after 4 iterations. iteration 168: trace = 2.705086397001691 (0.071313% change) linmin: converged after 7 iterations. iteration 169: trace = 2.704248128804522 (0.0309934% change) linmin: converged after 4 iterations. iteration 170: trace = 2.702866988271862 (0.051086% change) linmin: converged after 7 iterations. iteration 171: trace = 2.702313851893815 (0.0204669% change) large trace change predicted (0.0431533%) linmin: converged after 9 iterations. iteration 172: trace = 2.701148815856857 (0.0431218% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700716908737886 (0.015991% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926349275664 (0.0292765% change) linmin: converged after 10 iterations. iteration 175: trace = 2.69950374353636 (0.0156537% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895120450409 (0.0225483% change) linmin: converged after 5 iterations. iteration 177: trace = 2.698451221476076 (0.0164488% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993844758797 (0.016951% change) linmin: converged after 7 iterations. iteration 179: trace = 2.697463616793255 (0.0196546% change) linmin: converged after 3 iterations. iteration 180: trace = 2.696665396015228 (0.0295959% change) linmin: converged after 6 iterations. iteration 181: trace = 2.696201655719079 (0.0171983% change) large trace change predicted (0.0346405%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266767186802 (0.0346803% change) linmin: converged after 7 iterations. iteration 183: trace = 2.69443651262127 (0.0308089% change) large trace change predicted (0.0622795%) linmin: converged after 7 iterations. iteration 184: trace = 2.692752900824911 (0.0625043% change) linmin: converged after 6 iterations. iteration 185: trace = 2.69073346191324 (0.0750235% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687552763298101 (0.118279% change) linmin: converged after 7 iterations. iteration 187: trace = 2.685776821617606 (0.0661021% change) large trace change predicted (0.272315%) linmin: converged after 7 iterations. iteration 188: trace = 2.678462456552553 (0.272708% change) linmin: converged after 4 iterations. iteration 189: trace = 2.675868879938222 (0.0968777% change) large trace change predicted (0.339739%) linmin: converged after 4 iterations. iteration 190: trace = 2.666729504185088 (0.342132% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662932337281646 (0.142492% change) linmin: converged after 4 iterations. iteration 192: trace = 2.657074832037184 (0.220207% change) linmin: converged after 4 iterations. iteration 193: trace = 2.65349672880221 (0.134754% change) linmin: converged after 4 iterations. iteration 194: trace = 2.648488286974043 (0.188927% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645316228877821 (0.11984% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643019507440915 (0.0868599% change) linmin: converged after 4 iterations. iteration 197: trace = 2.639072388547024 (0.149453% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637967713688665 (0.0418672% change) large trace change predicted (0.120041%) linmin: converged after 4 iterations. iteration 199: trace = 2.634778602060498 (0.120966% change) linmin: converged after 7 iterations. iteration 200: trace = 2.63398758749048 (0.0300266% change) large trace change predicted (0.0847176%) linmin: converged after 3 iterations. iteration 201: trace = 2.63173790552105 (0.0854462% change) linmin: converged after 4 iterations. iteration 202: trace = 2.630646974330876 (0.0414615% change) large trace change predicted (0.0976398%) linmin: converged after 4 iterations. iteration 203: trace = 2.628058567825509 (0.0984427% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626785374373857 (0.0484579% change) large trace change predicted (0.143749%) linmin: converged after 3 iterations. iteration 205: trace = 2.622956814932579 (0.145857% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621371796462049 (0.060447% change) large trace change predicted (0.234922%) linmin: converged after 4 iterations. iteration 207: trace = 2.615074993490569 (0.240499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612599439412373 (0.0947096% change) large trace change predicted (0.276437%) linmin: converged after 4 iterations. iteration 209: trace = 2.605207297704536 (0.283343% change) resetting CG direction... linmin: converged after 7 iterations. iteration 210: trace = 2.602443612923844 (0.106139% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598192398352475 (0.163488% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595347730963465 (0.109546% change) linmin: converged after 4 iterations. iteration 213: trace = 2.59365544558886 (0.0652258% change) large trace change predicted (0.153795%) linmin: converged after 4 iterations. iteration 214: trace = 2.589668009692034 (0.153856% change) linmin: converged after 7 iterations. iteration 215: trace = 2.588641586949274 (0.0396432% change) large trace change predicted (0.210843%) linmin: converged after 6 iterations. iteration 216: trace = 2.583179065467499 (0.211242% change) linmin: converged after 4 iterations. iteration 217: trace = 2.581656345430779 (0.0589649% change) large trace change predicted (0.13206%) linmin: converged after 4 iterations. iteration 218: trace = 2.578244130200356 (0.132259% change) linmin: converged after 6 iterations. iteration 219: trace = 2.575843807093101 (0.0931425% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572928326893024 (0.11325% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568403428463484 (0.17602% change) linmin: converged after 4 iterations. iteration 222: trace = 2.565728293631528 (0.10421% change) large trace change predicted (0.266637%) linmin: converged after 3 iterations. iteration 223: trace = 2.558839632357965 (0.268848% change) linmin: converged after 5 iterations. iteration 224: trace = 2.555859458612721 (0.116534% change) large trace change predicted (0.377703%) linmin: converged after 4 iterations. iteration 225: trace = 2.546117791853172 (0.381878% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542337962785729 (0.148565% change) large trace change predicted (0.354885%) linmin: converged after 3 iterations. iteration 227: trace = 2.533238407051637 (0.358562% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529424915545144 (0.150652% change) large trace change predicted (0.34708%) linmin: converged after 3 iterations. iteration 229: trace = 2.520570853461847 (0.350656% change) linmin: converged after 7 iterations. iteration 230: trace = 2.518112346769551 (0.0975853% change) large trace change predicted (0.268005%) linmin: converged after 4 iterations. iteration 231: trace = 2.511315581595389 (0.27028% change) linmin: converged after 5 iterations. iteration 232: trace = 2.510007637821249 (0.0520956% change) large trace change predicted (0.13936%) linmin: converged after 3 iterations. iteration 233: trace = 2.506497106204726 (0.139959% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50564543935009 (0.0339841% change) large trace change predicted (0.0881977%) linmin: converged after 4 iterations. iteration 235: trace = 2.503434670985254 (0.0882704% change) linmin: converged after 7 iterations. iteration 236: trace = 2.502149209007646 (0.0513611% change) large trace change predicted (0.114792%) linmin: converged after 3 iterations. iteration 237: trace = 2.49926654155681 (0.115274% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498272993624503 (0.0397615% change) large trace change predicted (0.145384%) linmin: converged after 3 iterations. iteration 239: trace = 2.494616165784694 (0.146481% change) linmin: converged after 4 iterations. iteration 240: trace = 2.493146884948833 (0.0589154% change) large trace change predicted (0.141946%) linmin: converged after 3 iterations. iteration 241: trace = 2.489580836666877 (0.143136% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485943442374982 (0.146211% change) linmin: converged after 3 iterations. iteration 243: trace = 2.483328258580408 (0.105254% change) linmin: converged after 3 iterations. iteration 244: trace = 2.478462908969876 (0.196113% change) linmin: converged after 4 iterations. iteration 245: trace = 2.476980233124286 (0.0598403% change) large trace change predicted (0.245466%) linmin: converged after 3 iterations. iteration 246: trace = 2.470862962020193 (0.24727% change) linmin: converged after 4 iterations. iteration 247: trace = 2.468230516753927 (0.106596% change) linmin: converged after 3 iterations. iteration 248: trace = 2.463560080984533 (0.189401% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460629471610015 (0.119029% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458707484717564 (0.0781401% change) large trace change predicted (0.170099%) linmin: converged after 3 iterations. iteration 251: trace = 2.454485961678016 (0.171844% change) linmin: converged after 4 iterations. iteration 252: trace = 2.453271177140222 (0.0495047% change) large trace change predicted (0.149251%) linmin: converged after 3 iterations. iteration 253: trace = 2.449571206373269 (0.150932% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448784366542299 (0.0321267% change) linmin: converged after 3 iterations. iteration 255: trace = 2.447758237355343 (0.0419124% change) linmin: converged after 5 iterations. iteration 256: trace = 2.447313985882988 (0.018151% change) linmin: converged after 4 iterations. iteration 257: trace = 2.447043098783244 (0.0110694% change) linmin: converged after 3 iterations. iteration 258: trace = 2.446564320568998 (0.0195675% change) linmin: converged after 3 iterations. iteration 259: trace = 2.446400717382667 (0.00668728% change) large trace change predicted (0.0310288%) linmin: converged after 6 iterations. iteration 260: trace = 2.445641343236251 (0.0310453% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445297363352111 (0.014066% change) large trace change predicted (0.0555522%) linmin: converged after 3 iterations. iteration 262: trace = 2.443936323520693 (0.055675% change) linmin: converged after 4 iterations. iteration 263: trace = 2.443026569034238 (0.0372319% change) large trace change predicted (0.09099%) linmin: converged after 3 iterations. iteration 264: trace = 2.440789374057511 (0.0916167% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439828739375525 (0.0393653% change) large trace change predicted (0.141904%) linmin: converged after 3 iterations. iteration 266: trace = 2.436335563283969 (0.143276% change) linmin: converged after 4 iterations. iteration 267: trace = 2.435128680264548 (0.0495491% change) large trace change predicted (0.128943%) linmin: converged after 3 iterations. iteration 268: trace = 2.431961930089706 (0.130129% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430941723776069 (0.0419587% change) large trace change predicted (0.0893114%) linmin: converged after 3 iterations. iteration 270: trace = 2.428760350127596 (0.089774% change) linmin: converged after 6 iterations. iteration 271: trace = 2.42818690244441 (0.0236135% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427408009107205 (0.0320823% change) linmin: converged after 6 iterations. iteration 273: trace = 2.42718353777786 (0.00924779% change) large trace change predicted (0.0225506%) linmin: converged after 3 iterations. iteration 274: trace = 2.426635727281924 (0.0225723% change) linmin: converged after 4 iterations. iteration 275: trace = 2.426503974337808 (0.0054296% change) large trace change predicted (0.0152511%) linmin: converged after 3 iterations. iteration 276: trace = 2.426133588151351 (0.0152654% change) linmin: converged after 3 iterations. iteration 277: trace = 2.42603312373899 (0.00414101% change) large trace change predicted (0.0124182%) linmin: converged after 3 iterations. iteration 278: trace = 2.425731738181643 (0.0124237% change) linmin: converged after 7 iterations. iteration 279: trace = 2.425603118208099 (0.00530246% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.425498801054521 (0.00430076% change) linmin: converged after 4 iterations. iteration 281: trace = 2.425418725339828 (0.00330147% change) large trace change predicted (0.00797989%) linmin: converged after 5 iterations. iteration 282: trace = 2.425225150401144 (0.00798141% change) linmin: converged after 4 iterations. iteration 283: trace = 2.425181359336485 (0.00180567% change) large trace change predicted (0.0109858%) linmin: converged after 3 iterations. iteration 284: trace = 2.424914726679074 (0.0109949% change) linmin: converged after 5 iterations. iteration 285: trace = 2.424755246216938 (0.00657696% change) linmin: converged after 3 iterations. iteration 286: trace = 2.424467906778541 (0.0118509% change) linmin: converged after 3 iterations. iteration 287: trace = 2.423964504316606 (0.0207656% change) linmin: converged after 4 iterations. iteration 288: trace = 2.423712740063849 (0.010387% change) large trace change predicted (0.0317994%) linmin: converged after 3 iterations. iteration 289: trace = 2.422941343778363 (0.0318321% change) linmin: converged after 5 iterations. iteration 290: trace = 2.422303462952767 (0.0263302% change) linmin: converged after 11 iterations. iteration 291: trace = 2.421895004932108 (0.0168638% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421222054049629 (0.02779% change) linmin: converged after 3 iterations. iteration 293: trace = 2.421036466835571 (0.00766532% change) linmin: converged after 4 iterations. iteration 294: trace = 2.420799376205278 (0.00979342% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420549000767151 (0.0103432% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420473126327813 (0.00313465% change) large trace change predicted (0.00715625%) linmin: converged after 3 iterations. iteration 297: trace = 2.420299762104993 (0.00716267% change) linmin: converged after 6 iterations. iteration 298: trace = 2.420096899648509 (0.00838206% change) linmin: converged after 4 iterations. iteration 299: trace = 2.420008322273709 (0.00366014% change) large trace change predicted (0.0090843%) linmin: converged after 6 iterations. iteration 300: trace = 2.419788670440289 (0.0090769% change) linmin: converged after 10 iterations. iteration 301: trace = 2.419696157760241 (0.00382324% change) linmin: converged after 11 iterations. iteration 302: trace = 2.419589014419872 (0.00442806% change) linmin: converged after 4 iterations. iteration 303: trace = 2.419452486375571 (0.00564277% change) linmin: converged after 8 iterations. iteration 304: trace = 2.419418625725656 (0.00139953% change) large trace change predicted (0.00692979%) linmin: converged after 4 iterations. iteration 305: trace = 2.419251007437958 (0.00692828% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419193450632317 (0.00237915% change) large trace change predicted (0.0099315%) linmin: converged after 4 iterations. iteration 307: trace = 2.418953133580046 (0.00993426% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418800319054323 (0.00631758% change) large trace change predicted (0.0144262%) linmin: converged after 3 iterations. iteration 309: trace = 2.418451553064919 (0.01442% change) linmin: converged after 4 iterations. iteration 310: trace = 2.418130701377156 (0.0132677% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417584362050263 (0.022596% change) linmin: converged after 7 iterations. iteration 312: trace = 2.416980681275823 (0.0249735% change) linmin: converged after 3 iterations. iteration 313: trace = 2.416582028095403 (0.0164952% change) linmin: converged after 6 iterations. iteration 314: trace = 2.416272108603496 (0.0128255% change) linmin: converged after 4 iterations. iteration 315: trace = 2.416199546319029 (0.00300311% change) linmin: converged after 3 iterations. iteration 316: trace = 2.416064805001565 (0.00557674% change) linmin: converged after 5 iterations. iteration 317: trace = 2.415987951271789 (0.003181% change) linmin: converged after 5 iterations. iteration 318: trace = 2.415935765302752 (0.00216005% change) linmin: converged after 4 iterations. iteration 319: trace = 2.415844763914488 (0.00376678% change) linmin: converged after 5 iterations. iteration 320: trace = 2.415819916949144 (0.00102851% change) large trace change predicted (0.00323122%) linmin: converged after 3 iterations. iteration 321: trace = 2.415741882178416 (0.00323021% change) linmin: converged after 4 iterations. iteration 322: trace = 2.415695532948602 (0.00191865% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415620053920888 (0.00312457% change) linmin: converged after 4 iterations. iteration 324: trace = 2.415475295777183 (0.00599277% change) linmin: converged after 5 iterations. iteration 325: trace = 2.415422245916433 (0.00219627% change) large trace change predicted (0.0100908%) linmin: converged after 5 iterations. iteration 326: trace = 2.415178546608395 (0.0100898% change) linmin: converged after 4 iterations. iteration 327: trace = 2.415109114406762 (0.00287487% change) large trace change predicted (0.00898084%) linmin: converged after 3 iterations. iteration 328: trace = 2.414892112982225 (0.00898556% change) linmin: converged after 3 iterations. iteration 329: trace = 2.414781591782499 (0.00457676% change) linmin: converged after 5 iterations. iteration 330: trace = 2.414719128915768 (0.00258672% change) large trace change predicted (0.00657941%) linmin: converged after 3 iterations. iteration 331: trace = 2.4145602323151 (0.00658055% change) linmin: converged after 3 iterations. iteration 332: trace = 2.414535041944064 (0.00104327% change) large trace change predicted (0.00449677%) linmin: converged after 5 iterations. iteration 333: trace = 2.414426461516364 (0.00449705% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414390704050398 (0.001481% change) linmin: converged after 4 iterations. iteration 335: trace = 2.414336515861998 (0.00224441% change) linmin: converged after 5 iterations. iteration 336: trace = 2.414287524164549 (0.00202922% change) linmin: converged after 4 iterations. iteration 337: trace = 2.414272383054027 (0.000627148% change) large trace change predicted (0.00133408%) linmin: converged after 4 iterations. iteration 338: trace = 2.4142401757684 (0.00133405% change) linmin: converged after 4 iterations. iteration 339: trace = 2.414226431736891 (0.000569292% change) linmin: converged after 4 iterations. iteration 340: trace = 2.4142073027495 (0.000792348% change) linmin: converged after 5 iterations. iteration 341: trace = 2.41417177710586 (0.00147153% change) linmin: converged after 5 iterations. iteration 342: trace = 2.414151431149965 (0.000842775% change) large trace change predicted (0.00346203%) linmin: converged after 3 iterations. iteration 343: trace = 2.414067789289972 (0.00346471% change) linmin: converged after 5 iterations. iteration 344: trace = 2.413959447343671 (0.00448804% change) linmin: converged after 3 iterations. iteration 345: trace = 2.413764721980532 (0.00806696% change) linmin: converged after 5 iterations. iteration 346: trace = 2.413574295792183 (0.00788949% change) linmin: converged after 4 iterations. iteration 347: trace = 2.413430153497269 (0.00597233% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413218995376662 (0.00874968% change) linmin: converged after 4 iterations. iteration 349: trace = 2.413144871908962 (0.00307161% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.413105477909351 (0.00163249% change) linmin: converged after 5 iterations. iteration 351: trace = 2.413061210758417 (0.00183446% change) linmin: converged after 4 iterations. iteration 352: trace = 2.413024339826066 (0.00152799% change) linmin: converged after 3 iterations. iteration 353: trace = 2.413005702677034 (0.000772359% change) large trace change predicted (0.00175005%) linmin: converged after 3 iterations. iteration 354: trace = 2.412963480678643 (0.00174978% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412950537637269 (0.000536398% change) large trace change predicted (0.00137583%) linmin: converged after 4 iterations. iteration 356: trace = 2.412917351141791 (0.00137536% change) linmin: converged after 4 iterations. iteration 357: trace = 2.412898864252174 (0.000766166% change) linmin: converged after 6 iterations. iteration 358: trace = 2.412888741672815 (0.00041952% change) large trace change predicted (0.000897202%) linmin: converged after 3 iterations. iteration 359: trace = 2.412867089008862 (0.000897379% change) linmin: converged after 3 iterations. iteration 360: trace = 2.412855013225595 (0.000500476% change) linmin: converged after 5 iterations. iteration 361: trace = 2.412837705747863 (0.000717305% change) linmin: converged after 3 iterations. iteration 362: trace = 2.412814277133646 (0.000971003% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412801922239738 (0.000512055% change) large trace change predicted (0.00103409%) linmin: converged after 4 iterations. iteration 364: trace = 2.412776973723839 (0.00103401% change) linmin: converged after 4 iterations. iteration 365: trace = 2.412758091325611 (0.000782603% change) large trace change predicted (0.00188491%) linmin: converged after 3 iterations. iteration 366: trace = 2.412712636238626 (0.00188396% change) linmin: converged after 4 iterations. iteration 367: trace = 2.412648716610867 (0.00264932% change) linmin: converged after 7 iterations. iteration 368: trace = 2.412604087944703 (0.0018498% change) large trace change predicted (0.00484801%) linmin: converged after 4 iterations. iteration 369: trace = 2.412487144647566 (0.0048473% change) linmin: converged after 6 iterations. iteration 370: trace = 2.412458383836809 (0.00119217% change) large trace change predicted (0.00290035%) linmin: converged after 5 iterations. iteration 371: trace = 2.412388398753918 (0.00290103% change) linmin: converged after 6 iterations. iteration 372: trace = 2.412358045444884 (0.00125823% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412335450984096 (0.000936617% change) linmin: converged after 4 iterations. iteration 374: trace = 2.412307724482014 (0.00114937% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412302617059019 (0.000211724% change) large trace change predicted (0.000766784%) linmin: converged after 5 iterations. iteration 376: trace = 2.412284117777008 (0.000766875% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412279510806308 (0.00019098% change) large trace change predicted (0.000632402%) linmin: converged after 9 iterations. iteration 378: trace = 2.41226425583808 (0.00063239% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412244481873568 (0.00081973% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412228442607 (0.000664913% change) large trace change predicted (0.00165035%) linmin: converged after 4 iterations. iteration 381: trace = 2.412188619281695 (0.00165091% change) linmin: converged after 4 iterations. iteration 382: trace = 2.412175923182992 (0.000526332% change) large trace change predicted (0.0027045%) linmin: converged after 4 iterations. iteration 383: trace = 2.412110660559929 (0.00270559% change) linmin: converged after 6 iterations. iteration 384: trace = 2.412088586308698 (0.000915147% change) large trace change predicted (0.00315599%) linmin: converged after 4 iterations. iteration 385: trace = 2.412012430996469 (0.00315729% change) linmin: converged after 4 iterations. iteration 386: trace = 2.411935200798017 (0.00320195% change) linmin: converged after 3 iterations. iteration 387: trace = 2.411864666905017 (0.00292441% change) large trace change predicted (0.00728915%) linmin: converged after 5 iterations. iteration 388: trace = 2.411688822352852 (0.00729108% change) linmin: converged after 3 iterations. iteration 389: trace = 2.411622587749163 (0.00274644% change) large trace change predicted (0.0121151%) linmin: converged after 5 iterations. iteration 390: trace = 2.411330165114793 (0.0121263% change) linmin: converged after 3 iterations. iteration 391: trace = 2.411229026724787 (0.00419439% change) linmin: converged after 4 iterations. iteration 392: trace = 2.411059446826707 (0.00703317% change) linmin: converged after 4 iterations. iteration 393: trace = 2.411001504847319 (0.0024032% change) linmin: converged after 5 iterations. iteration 394: trace = 2.410953785106599 (0.00197927% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410901425806722 (0.00217175% change) linmin: converged after 8 iterations. iteration 396: trace = 2.410888895268518 (0.000519746% change) large trace change predicted (0.00196923%) linmin: converged after 5 iterations. iteration 397: trace = 2.410841395989183 (0.00197022% change) linmin: converged after 5 iterations. iteration 398: trace = 2.410828058590703 (0.000553227% change) large trace change predicted (0.00159381%) linmin: converged after 4 iterations. iteration 399: trace = 2.410789610286851 (0.00159483% change) linmin: converged after 3 iterations. iteration 400: trace = 2.410760919633631 (0.0011901% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410731748359074 (0.00121005% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410674529764117 (0.00237352% change) linmin: converged after 4 iterations. iteration 403: trace = 2.41063035791648 (0.00183236% change) large trace change predicted (0.0057626%) linmin: converged after 5 iterations. iteration 404: trace = 2.410491407223239 (0.00576425% change) linmin: converged after 3 iterations. iteration 405: trace = 2.410354604747939 (0.00567546% change) linmin: converged after 3 iterations. iteration 406: trace = 2.410264930711782 (0.00372044% change) linmin: converged after 4 iterations. iteration 407: trace = 2.410122778264242 (0.00589797% change) linmin: converged after 4 iterations. iteration 408: trace = 2.410048954572735 (0.00306311% change) linmin: converged after 4 iterations. iteration 409: trace = 2.409969008529252 (0.00331725% change) linmin: converged after 8 iterations. iteration 410: trace = 2.409821276562053 (0.00613022% change) linmin: converged after 6 iterations. iteration 411: trace = 2.40977602934321 (0.00187763% change) large trace change predicted (0.00724798%) linmin: converged after 5 iterations. iteration 412: trace = 2.409601344914915 (0.00724925% change) linmin: converged after 4 iterations. iteration 413: trace = 2.409529036636926 (0.00300088% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409404563861171 (0.00516599% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409302758209075 (0.00422543% change) linmin: converged after 4 iterations. iteration 416: trace = 2.409268995724045 (0.00140135% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409212734452731 (0.00233523% change) linmin: converged after 3 iterations. iteration 418: trace = 2.409177397922882 (0.00146674% change) linmin: converged after 4 iterations. iteration 419: trace = 2.409146517774993 (0.00128178% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.409127673631103 (0.000782195% change) linmin: converged after 3 iterations. iteration 421: trace = 2.40910487647798 (0.000946287% change) linmin: converged after 4 iterations. iteration 422: trace = 2.409066187005275 (0.00160598% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409033956451833 (0.00133789% change) linmin: converged after 3 iterations. iteration 424: trace = 2.408975544628538 (0.00242473% change) large trace change predicted (0.0048579%) linmin: converged after 3 iterations. iteration 425: trace = 2.408858505547754 (0.00485858% change) linmin: converged after 4 iterations. iteration 426: trace = 2.408817305535966 (0.00171037% change) large trace change predicted (0.00518871%) linmin: converged after 4 iterations. iteration 427: trace = 2.408692341301195 (0.00518792% change) linmin: converged after 3 iterations. iteration 428: trace = 2.408647960000047 (0.00184256% change) linmin: converged after 9 iterations. iteration 429: trace = 2.408565908394758 (0.0034066% change) linmin: converged after 3 iterations. iteration 430: trace = 2.408507349948589 (0.00243129% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408477407987981 (0.00124318% change) large trace change predicted (0.00307478%) linmin: converged after 4 iterations. iteration 432: trace = 2.408403390463678 (0.00307326% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408353727234863 (0.0020621% change) linmin: converged after 5 iterations. iteration 434: trace = 2.408291082362517 (0.00260118% change) linmin: converged after 4 iterations. iteration 435: trace = 2.408216646448467 (0.00309087% change) linmin: converged after 4 iterations. iteration 436: trace = 2.408198556590837 (0.000751175% change) linmin: converged after 5 iterations. iteration 437: trace = 2.408164013379999 (0.00143441% change) linmin: converged after 5 iterations. iteration 438: trace = 2.40812883558396 (0.00146078% change) linmin: converged after 4 iterations. iteration 439: trace = 2.408114658553496 (0.000588717% change) large trace change predicted (0.00143501%) linmin: converged after 3 iterations. iteration 440: trace = 2.408080110488143 (0.00143466% change) linmin: converged after 3 iterations. iteration 441: trace = 2.408071602966246 (0.000353291% change) large trace change predicted (0.00147235%) linmin: converged after 4 iterations. iteration 442: trace = 2.408036165413632 (0.00147163% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408023612251399 (0.000521304% change) large trace change predicted (0.00121821%) linmin: converged after 3 iterations. iteration 444: trace = 2.407994290026811 (0.0012177% change) linmin: converged after 8 iterations. iteration 445: trace = 2.407943323312153 (0.00211659% change) linmin: converged after 3 iterations. iteration 446: trace = 2.40788869580704 (0.00226866% change) large trace change predicted (0.00459473%) linmin: converged after 4 iterations. iteration 447: trace = 2.40777813518564 (0.00459171% change) linmin: converged after 5 iterations. iteration 448: trace = 2.407724715188509 (0.00221867% change) large trace change predicted (0.00493538%) linmin: converged after 4 iterations. iteration 449: trace = 2.407605925893652 (0.0049338% change) linmin: converged after 3 iterations. iteration 450: trace = 2.407556378226464 (0.00205799% change) linmin: converged after 3 iterations. iteration 451: trace = 2.40749756945288 (0.0024427% change) linmin: converged after 3 iterations. iteration 452: trace = 2.407418861245825 (0.00326935% change) linmin: converged after 5 iterations. iteration 453: trace = 2.407394217500983 (0.00102366% change) large trace change predicted (0.00306178%) linmin: converged after 3 iterations. iteration 454: trace = 2.407320549118157 (0.00306013% change) linmin: converged after 3 iterations. iteration 455: trace = 2.407297916611373 (0.000940158% change) linmin: converged after 3 iterations. iteration 456: trace = 2.407261928821769 (0.00149496% change) linmin: converged after 3 iterations. iteration 457: trace = 2.407232933605502 (0.0012045% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407223795329441 (0.000379618% change) large trace change predicted (0.0010161%) linmin: converged after 15 iterations. iteration 459: trace = 2.40719933805948 (0.001016% change) linmin: converged after 5 iterations. iteration 460: trace = 2.407191241496832 (0.000336348% change) linmin: converged after 3 iterations. iteration 461: trace = 2.407178819580633 (0.000516035% change) linmin: converged after 4 iterations. iteration 462: trace = 2.407170046877488 (0.00036444% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407164729306418 (0.000220906% change) large trace change predicted (0.000660546%) linmin: converged after 6 iterations. iteration 464: trace = 2.40714882925253 (0.000660533% change) linmin: converged after 6 iterations. iteration 465: trace = 2.40713093710496 (0.000743295% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407102099785542 (0.001198% change) large trace change predicted (0.00268866%) linmin: converged after 4 iterations. iteration 467: trace = 2.407037437322258 (0.00268636% change) linmin: converged after 5 iterations. iteration 468: trace = 2.407003054879262 (0.00142842% change) large trace change predicted (0.00293801%) linmin: converged after 4 iterations. iteration 469: trace = 2.406932377308198 (0.00293637% change) linmin: converged after 6 iterations. iteration 470: trace = 2.406890344018233 (0.00174636% change) linmin: converged after 3 iterations. iteration 471: trace = 2.406817929832612 (0.00300867% change) linmin: converged after 4 iterations. iteration 472: trace = 2.406794877383477 (0.000957802% change) linmin: converged after 5 iterations. iteration 473: trace = 2.406761739378808 (0.00137686% change) linmin: converged after 5 iterations. iteration 474: trace = 2.406745008065502 (0.000695182% change) linmin: converged after 3 iterations. iteration 475: trace = 2.406726750788398 (0.000758591% change) linmin: converged after 4 iterations. iteration 476: trace = 2.406714677607972 (0.000501644% change) linmin: converged after 5 iterations. iteration 477: trace = 2.406703447920629 (0.000466599% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406693888887816 (0.000397184% change) linmin: converged after 3 iterations. iteration 479: trace = 2.40668594743227 (0.000329974% change) linmin: converged after 4 iterations. iteration 480: trace = 2.40667659168057 (0.000388741% change) linmin: converged after 3 iterations. iteration 481: trace = 2.406667678002646 (0.000370374% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406656627325904 (0.00045917% change) linmin: converged after 7 iterations. iteration 483: trace = 2.406646492827762 (0.000421104% change) large trace change predicted (0.000849753%) linmin: converged after 4 iterations. iteration 484: trace = 2.406626044709518 (0.000849656% change) linmin: converged after 5 iterations. iteration 485: trace = 2.406618988191544 (0.000293212% change) large trace change predicted (0.00176232%) linmin: converged after 3 iterations. iteration 486: trace = 2.406576580719618 (0.00176213% change) linmin: converged after 3 iterations. iteration 487: trace = 2.40656598022856 (0.000440481% change) large trace change predicted (0.00116962%) linmin: converged after 4 iterations. iteration 488: trace = 2.406537844166276 (0.00116914% change) linmin: converged after 4 iterations. iteration 489: trace = 2.406509014226811 (0.00119799% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.40649549182681 (0.000561911% change) large trace change predicted (0.0011498%) linmin: converged after 3 iterations. iteration 491: trace = 2.406467820696447 (0.00114986% change) linmin: converged after 4 iterations. iteration 492: trace = 2.406454201758044 (0.000565932% change) large trace change predicted (0.00123715%) linmin: converged after 3 iterations. iteration 493: trace = 2.406424425716965 (0.00123735% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40640407504545 (0.000845684% change) linmin: converged after 5 iterations. iteration 495: trace = 2.406396409371983 (0.000318554% change) large trace change predicted (0.000797611%) linmin: converged after 4 iterations. iteration 496: trace = 2.406377218184986 (0.00079751% change) linmin: converged after 4 iterations. iteration 497: trace = 2.406367951705904 (0.000385081% change) linmin: converged after 9 iterations. iteration 498: trace = 2.406356897495144 (0.000459374% change) linmin: converged after 3 iterations. iteration 499: trace = 2.406349054106608 (0.000325945% change) linmin: converged after 14 iterations. iteration 500: trace = 2.406342884821167 (0.000256376% change) large trace change predicted (0.00060768%) linmin: converged after 18 iterations. iteration 501: trace = 2.406328262579914 (0.000607656% change) linmin: converged after 3 iterations. iteration 502: trace = 2.406321782657255 (0.000269287% change) large trace change predicted (0.000880924%) linmin: converged after 3 iterations. iteration 503: trace = 2.406300584700584 (0.000880932% change) linmin: converged after 3 iterations. iteration 504: trace = 2.406274116096915 (0.00109998% change) linmin: converged after 5 iterations. iteration 505: trace = 2.406257286513555 (0.000699407% change) large trace change predicted (0.00242498%) linmin: converged after 3 iterations. iteration 506: trace = 2.406198946987806 (0.00242452% change) linmin: converged after 4 iterations. iteration 507: trace = 2.40617452085813 (0.00101514% change) large trace change predicted (0.00219554%) linmin: converged after 4 iterations. iteration 508: trace = 2.40612171266286 (0.00219472% change) linmin: converged after 3 iterations. iteration 509: trace = 2.406050526469905 (0.00295859% change) linmin: converged after 4 iterations. iteration 510: trace = 2.406026869544855 (0.000983231% change) large trace change predicted (0.00228387%) linmin: converged after 3 iterations. iteration 511: trace = 2.405971920380029 (0.00228384% change) linmin: converged after 5 iterations. iteration 512: trace = 2.40595948158585 (0.000516998% change) large trace change predicted (0.00103874%) linmin: converged after 5 iterations. iteration 513: trace = 2.405934493898481 (0.00103858% change) linmin: converged after 4 iterations. iteration 514: trace = 2.405921663565577 (0.00053328% change) linmin: converged after 3 iterations. iteration 515: trace = 2.405914708318665 (0.000289089% change) large trace change predicted (0.000706185%) linmin: converged after 2 iterations. iteration 516: trace = 2.405897717038956 (0.000706232% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405888512685519 (0.000382575% change) large trace change predicted (0.000768759%) linmin: converged after 3 iterations. iteration 518: trace = 2.405870019592412 (0.000768663% change) linmin: converged after 5 iterations. iteration 519: trace = 2.405856919260144 (0.000544517% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405845175561006 (0.000488131% change) linmin: converged after 6 iterations. iteration 521: trace = 2.405827735382116 (0.000724911% change) linmin: converged after 5 iterations. iteration 522: trace = 2.405817520983692 (0.00042457% change) large trace change predicted (0.00114355%) linmin: converged after 3 iterations. iteration 523: trace = 2.405790017760951 (0.0011432% change) linmin: converged after 5 iterations. iteration 524: trace = 2.405755907645573 (0.00141784% change) linmin: converged after 8 iterations. iteration 525: trace = 2.405709231475839 (0.00194021% change) linmin: converged after 6 iterations. iteration 526: trace = 2.405630273871411 (0.00328215% change) linmin: converged after 5 iterations. iteration 527: trace = 2.405584197488845 (0.00191537% change) large trace change predicted (0.00594227%) linmin: converged after 6 iterations. iteration 528: trace = 2.405441419912046 (0.00593543% change) linmin: converged after 5 iterations. iteration 529: trace = 2.405356051782465 (0.00354902% change) linmin: converged after 4 iterations. iteration 530: trace = 2.405261840308153 (0.00391681% change) linmin: converged after 3 iterations. iteration 531: trace = 2.405154880275117 (0.00444702% change) linmin: converged after 8 iterations. iteration 532: trace = 2.405131989013751 (0.000951763% change) large trace change predicted (0.00258618%) linmin: converged after 4 iterations. iteration 533: trace = 2.405069786005582 (0.0025863% change) linmin: converged after 4 iterations. iteration 534: trace = 2.405056371594017 (0.000557757% change) large trace change predicted (0.00112658%) linmin: converged after 3 iterations. iteration 535: trace = 2.405029270337887 (0.00112685% change) linmin: converged after 4 iterations. iteration 536: trace = 2.405002859646172 (0.00109815% change) linmin: converged after 3 iterations. iteration 537: trace = 2.404990597544411 (0.000509859% change) large trace change predicted (0.00191828%) linmin: converged after 3 iterations. iteration 538: trace = 2.404944440913126 (0.00191922% change) linmin: converged after 3 iterations. iteration 539: trace = 2.404931454691177 (0.000539982% change) large trace change predicted (0.00221192%) linmin: converged after 4 iterations. iteration 540: trace = 2.404878242961033 (0.00221263% change) linmin: converged after 4 iterations. iteration 541: trace = 2.404829650986422 (0.00202058% change) linmin: converged after 3 iterations. iteration 542: trace = 2.404784082420818 (0.0018949% change) large trace change predicted (0.00482047%) linmin: converged after 6 iterations. iteration 543: trace = 2.404668103576904 (0.00482295% change) linmin: converged after 7 iterations. iteration 544: trace = 2.404632651179787 (0.00147433% change) large trace change predicted (0.00550294%) linmin: converged after 3 iterations. iteration 545: trace = 2.404500248795271 (0.00550629% change) linmin: converged after 3 iterations. iteration 546: trace = 2.404472441655628 (0.00115647% change) large trace change predicted (0.00386426%) linmin: converged after 5 iterations. iteration 547: trace = 2.404379497083522 (0.00386556% change) linmin: converged after 3 iterations. iteration 548: trace = 2.404330840596785 (0.00202368% change) linmin: converged after 3 iterations. iteration 549: trace = 2.404249390266864 (0.00338771% change) linmin: converged after 5 iterations. iteration 550: trace = 2.404155477271257 (0.0039062% change) linmin: converged after 3 iterations. iteration 551: trace = 2.404102718054798 (0.00219453% change) large trace change predicted (0.00659624%) linmin: converged after 3 iterations. iteration 552: trace = 2.40394420456104 (0.00659367% change) linmin: converged after 3 iterations. iteration 553: trace = 2.403902698873667 (0.00172658% change) large trace change predicted (0.00440292%) linmin: converged after 7 iterations. iteration 554: trace = 2.40379682655492 (0.00440428% change) linmin: converged after 6 iterations. iteration 555: trace = 2.403778368462579 (0.000767875% change) large trace change predicted (0.00229328%) linmin: converged after 5 iterations. iteration 556: trace = 2.403723219408312 (0.00229429% change) linmin: converged after 5 iterations. iteration 557: trace = 2.403705411245061 (0.00074086% change) linmin: converged after 3 iterations. iteration 558: trace = 2.403679462485997 (0.00107954% change) large trace change predicted (0.00503517%) linmin: converged after 5 iterations. iteration 559: trace = 2.403558295005102 (0.00504104% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.4034933316498 (0.00270284% change) linmin: converged after 3 iterations. iteration 561: trace = 2.403437539483404 (0.00232132% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403422988346854 (0.000605432% change) large trace change predicted (0.00162536%) linmin: converged after 5 iterations. iteration 563: trace = 2.403383919155848 (0.00162558% change) linmin: converged after 3 iterations. iteration 564: trace = 2.403315368747654 (0.00285229% change) linmin: converged after 5 iterations. iteration 565: trace = 2.403291559639282 (0.000990683% change) large trace change predicted (0.00548789%) linmin: converged after 4 iterations. iteration 566: trace = 2.403159664170978 (0.00548827% change) linmin: converged after 6 iterations. iteration 567: trace = 2.403118988215129 (0.00169262% change) large trace change predicted (0.00499035%) linmin: converged after 5 iterations. iteration 568: trace = 2.402999061869221 (0.00499057% change) linmin: converged after 5 iterations. iteration 569: trace = 2.402916068590387 (0.0034538% change) linmin: converged after 4 iterations. iteration 570: trace = 2.402841367063199 (0.00310883% change) linmin: converged after 3 iterations. iteration 571: trace = 2.402744743124539 (0.00402132% change) linmin: converged after 5 iterations. iteration 572: trace = 2.402708031283683 (0.00152792% change) large trace change predicted (0.00414703%) linmin: converged after 4 iterations. iteration 573: trace = 2.402608440386897 (0.00414503% change) linmin: converged after 5 iterations. iteration 574: trace = 2.402561009169618 (0.00197417% change) linmin: converged after 5 iterations. iteration 575: trace = 2.402510855971565 (0.00208751% change) linmin: converged after 11 iterations. iteration 576: trace = 2.40245405148352 (0.00236441% change) linmin: converged after 4 iterations. iteration 577: trace = 2.402404812369137 (0.00204956% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402342593387544 (0.0025899% change) linmin: converged after 5 iterations. iteration 579: trace = 2.402308269163571 (0.00142879% change) linmin: converged after 6 iterations. iteration 580: trace = 2.402241725005147 (0.00277005% change) linmin: converged after 4 iterations. iteration 581: trace = 2.402222413036028 (0.000803918% change) large trace change predicted (0.00189458%) linmin: converged after 3 iterations. iteration 582: trace = 2.402176914530825 (0.00189404% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402155804011457 (0.000878812% change) linmin: converged after 3 iterations. iteration 584: trace = 2.402140265305782 (0.000646867% change) linmin: converged after 4 iterations. iteration 585: trace = 2.402113169154781 (0.00112801% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402103221607614 (0.000414117% change) large trace change predicted (0.00115644%) linmin: converged after 5 iterations. iteration 587: trace = 2.402075448284204 (0.00115622% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402057261687719 (0.000757123% change) linmin: converged after 8 iterations. iteration 589: trace = 2.402035056791651 (0.000924416% change) linmin: converged after 3 iterations. iteration 590: trace = 2.402005622261354 (0.00122541% change) linmin: converged after 5 iterations. iteration 591: trace = 2.40198917097395 (0.0006849% change) large trace change predicted (0.00288289%) linmin: converged after 5 iterations. iteration 592: trace = 2.401919962581025 (0.00288134% change) linmin: converged after 6 iterations. iteration 593: trace = 2.40189677950274 (0.000965194% change) large trace change predicted (0.0030806%) linmin: converged after 3 iterations. iteration 594: trace = 2.401822832627387 (0.00307873% change) linmin: converged after 3 iterations. iteration 595: trace = 2.401762219520322 (0.00252366% change) linmin: converged after 4 iterations. iteration 596: trace = 2.401655414518719 (0.00444704% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401584853692341 (0.00293805% change) linmin: converged after 3 iterations. iteration 598: trace = 2.401446188453818 (0.00577407% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401374495208222 (0.00298546% change) linmin: converged after 9 iterations. iteration 600: trace = 2.401293153775771 (0.00338734% change) linmin: converged after 4 iterations. iteration 601: trace = 2.401231425081379 (0.00257068% change) linmin: converged after 4 iterations. iteration 602: trace = 2.401200088872089 (0.00130501% change) linmin: converged after 4 iterations. iteration 603: trace = 2.401179313932898 (0.000865194% change) linmin: converged after 3 iterations. iteration 604: trace = 2.401152789041146 (0.00110467% change) linmin: converged after 4 iterations. iteration 605: trace = 2.401140690564016 (0.000503862% change) large trace change predicted (0.00140711%) linmin: converged after 3 iterations. iteration 606: trace = 2.40110691567559 (0.00140663% change) linmin: converged after 5 iterations. iteration 607: trace = 2.401098942331562 (0.00033207% change) large trace change predicted (0.00127683%) linmin: converged after 3 iterations. iteration 608: trace = 2.401068291637813 (0.00127654% change) linmin: converged after 4 iterations. iteration 609: trace = 2.401058437447088 (0.000410409% change) linmin: converged after 3 iterations. iteration 610: trace = 2.401046358739613 (0.000503059% change) linmin: converged after 4 iterations. iteration 611: trace = 2.401033419966946 (0.000538882% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401026491596801 (0.000288558% change) large trace change predicted (0.000908901%) linmin: converged after 3 iterations. iteration 613: trace = 2.401004672905895 (0.000908728% change) linmin: converged after 4 iterations. iteration 614: trace = 2.400995308902778 (0.000390004% change) large trace change predicted (0.00174868%) linmin: converged after 3 iterations. iteration 615: trace = 2.400953332263188 (0.00174832% change) linmin: converged after 5 iterations. iteration 616: trace = 2.400935138562803 (0.000757773% change) large trace change predicted (0.00324569%) linmin: converged after 3 iterations. iteration 617: trace = 2.400857248990773 (0.00324419% change) linmin: converged after 3 iterations. iteration 618: trace = 2.400821594585334 (0.00148508% change) large trace change predicted (0.00312032%) linmin: converged after 5 iterations. iteration 619: trace = 2.40074669860094 (0.00311965% change) linmin: converged after 6 iterations. iteration 620: trace = 2.400716166054793 (0.0012718% change) large trace change predicted (0.00421743%) linmin: converged after 4 iterations. iteration 621: trace = 2.40061501319923 (0.00421353% change) linmin: converged after 5 iterations. iteration 622: trace = 2.40059759306838 (0.000725655% change) large trace change predicted (0.00188883%) linmin: converged after 3 iterations. iteration 623: trace = 2.400552266255045 (0.00188816% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400535506580005 (0.000698162% change) linmin: converged after 3 iterations. iteration 625: trace = 2.400518517485648 (0.000707724% change) linmin: converged after 5 iterations. iteration 626: trace = 2.400507582500613 (0.000455527% change) linmin: converged after 4 iterations. iteration 627: trace = 2.400499023014769 (0.00035657% change) linmin: converged after 3 iterations. iteration 628: trace = 2.400486063812451 (0.000539856% change) linmin: converged after 4 iterations. iteration 629: trace = 2.400482067417102 (0.000166483% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.400476498506718 (0.000231992% change) linmin: converged after 4 iterations. iteration 631: trace = 2.400469283544607 (0.000300564% change) linmin: converged after 3 iterations. iteration 632: trace = 2.400460503350378 (0.000365771% change) linmin: converged after 3 iterations. iteration 633: trace = 2.400455973860838 (0.000188693% change) large trace change predicted (0.000766812%) linmin: converged after 3 iterations. iteration 634: trace = 2.400437560833756 (0.000767067% change) linmin: converged after 5 iterations. iteration 635: trace = 2.400430605891058 (0.000289737% change) large trace change predicted (0.00100067%) linmin: converged after 4 iterations. iteration 636: trace = 2.400406583576626 (0.00100076% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400384408772469 (0.000923798% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400371084793685 (0.000555078% change) linmin: converged after 4 iterations. iteration 639: trace = 2.400346446119734 (0.00102646% change) linmin: converged after 6 iterations. iteration 640: trace = 2.40033470444552 (0.000489167% change) large trace change predicted (0.000999483%) linmin: converged after 3 iterations. iteration 641: trace = 2.400310711905075 (0.000999555% change) linmin: converged after 4 iterations. iteration 642: trace = 2.400276981274522 (0.00140527% change) linmin: converged after 5 iterations. iteration 643: trace = 2.400243927703529 (0.00137708% change) linmin: converged after 3 iterations. iteration 644: trace = 2.40018052943928 (0.00264136% change) linmin: converged after 5 iterations. iteration 645: trace = 2.400151415834285 (0.00121298% change) large trace change predicted (0.00339172%) linmin: converged after 4 iterations. iteration 646: trace = 2.400070017064025 (0.00339146% change) linmin: converged after 4 iterations. iteration 647: trace = 2.400011748039202 (0.00242783% change) linmin: converged after 4 iterations. iteration 648: trace = 2.399976005409454 (0.00148928% change) linmin: converged after 5 iterations. iteration 649: trace = 2.399931388306744 (0.00185908% change) linmin: converged after 5 iterations. iteration 650: trace = 2.399922864491106 (0.00035517% change) large trace change predicted (0.00107106%) linmin: converged after 3 iterations. iteration 651: trace = 2.399897165522764 (0.00107083% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399891973219681 (0.000216355% change) large trace change predicted (0.000561254%) linmin: converged after 3 iterations. iteration 653: trace = 2.399878505850278 (0.000561167% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399859140053092 (0.000806952% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399852024539956 (0.000296498% change) large trace change predicted (0.00115875%) linmin: converged after 3 iterations. iteration 656: trace = 2.399824223083794 (0.00115847% change) linmin: converged after 5 iterations. iteration 657: trace = 2.399816495679066 (0.000321999% change) large trace change predicted (0.00171988%) linmin: converged after 4 iterations. iteration 658: trace = 2.399775237510344 (0.00171924% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399753748224434 (0.000895475% change) large trace change predicted (0.00183548%) linmin: converged after 3 iterations. iteration 660: trace = 2.399709714052085 (0.00183496% change) linmin: converged after 3 iterations. iteration 661: trace = 2.399639127193321 (0.00294152% change) linmin: converged after 5 iterations. iteration 662: trace = 2.399609811660065 (0.00122167% change) large trace change predicted (0.00339786%) linmin: converged after 10 iterations. iteration 663: trace = 2.399528279333217 (0.00339779% change) linmin: converged after 4 iterations. iteration 664: trace = 2.399470077277682 (0.00242559% change) linmin: converged after 5 iterations. iteration 665: trace = 2.399374700175465 (0.003975% change) linmin: converged after 4 iterations. iteration 666: trace = 2.399268987694891 (0.00440593% change) linmin: converged after 4 iterations. iteration 667: trace = 2.399224471179317 (0.00185544% change) large trace change predicted (0.00440971%) linmin: converged after 5 iterations. iteration 668: trace = 2.399118681210866 (0.00440944% change) linmin: converged after 3 iterations. iteration 669: trace = 2.399082317079916 (0.00151574% change) linmin: converged after 4 iterations. iteration 670: trace = 2.399038305939429 (0.00183452% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398995247534791 (0.00179484% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398986137619066 (0.00037974% change) large trace change predicted (0.00106787%) linmin: converged after 3 iterations. iteration 673: trace = 2.398960520461708 (0.00106784% change) linmin: converged after 11 iterations. iteration 674: trace = 2.398950933428047 (0.000399634% change) large trace change predicted (0.00121968%) linmin: converged after 4 iterations. iteration 675: trace = 2.398921674410088 (0.00121967% change) linmin: converged after 3 iterations. iteration 676: trace = 2.398887770030091 (0.00141333% change) linmin: converged after 4 iterations. iteration 677: trace = 2.398851658267786 (0.00150537% change) large trace change predicted (0.00520682%) linmin: converged after 6 iterations. iteration 678: trace = 2.398726832808015 (0.00520369% change) linmin: converged after 4 iterations. iteration 679: trace = 2.398695330890215 (0.00131329% change) large trace change predicted (0.00746202%) linmin: converged after 4 iterations. iteration 680: trace = 2.398516449182171 (0.00745774% change) linmin: converged after 3 iterations. iteration 681: trace = 2.398446153610118 (0.00293084% change) linmin: converged after 3 iterations. iteration 682: trace = 2.398334315061817 (0.00466307% change) linmin: converged after 4 iterations. iteration 683: trace = 2.398231637971955 (0.00428128% change) linmin: converged after 4 iterations. iteration 684: trace = 2.398199370704336 (0.00134547% change) large trace change predicted (0.00417706%) linmin: converged after 7 iterations. iteration 685: trace = 2.398099155105991 (0.00417887% change) linmin: converged after 3 iterations. iteration 686: trace = 2.398080674520193 (0.000770638% change) large trace change predicted (0.00196276%) linmin: converged after 4 iterations. iteration 687: trace = 2.3980336009857 (0.00196299% change) linmin: converged after 3 iterations. iteration 688: trace = 2.397955223765863 (0.00326845% change) linmin: converged after 4 iterations. iteration 689: trace = 2.397915956975916 (0.00163752% change) linmin: converged after 3 iterations. iteration 690: trace = 2.397857037356725 (0.00245715% change) linmin: converged after 3 iterations. iteration 691: trace = 2.397825867801184 (0.0012999% change) large trace change predicted (0.00269688%) linmin: converged after 4 iterations. iteration 692: trace = 2.397761172239022 (0.00269813% change) linmin: converged after 3 iterations. iteration 693: trace = 2.397700044928014 (0.00254938% change) linmin: converged after 5 iterations. iteration 694: trace = 2.397637800406628 (0.00259604% change) linmin: converged after 4 iterations. iteration 695: trace = 2.397536679958509 (0.00421759% change) linmin: converged after 5 iterations. iteration 696: trace = 2.397493423998861 (0.0018042% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397416914325186 (0.00319129% change) linmin: converged after 8 iterations. iteration 698: trace = 2.397370074261597 (0.00195379% change) large trace change predicted (0.00854946%) linmin: converged after 5 iterations. iteration 699: trace = 2.397164815806605 (0.00856218% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.397074443647552 (0.00377003% change) linmin: converged after 5 iterations. iteration 701: trace = 2.39695183770601 (0.00511495% change) linmin: converged after 3 iterations. iteration 702: trace = 2.396875346244792 (0.00319125% change) linmin: converged after 5 iterations. iteration 703: trace = 2.396838858589352 (0.00152231% change) large trace change predicted (0.00414525%) linmin: converged after 3 iterations. iteration 704: trace = 2.396739496961615 (0.00414561% change) linmin: converged after 3 iterations. iteration 705: trace = 2.396704690725748 (0.00145224% change) large trace change predicted (0.00306846%) linmin: converged after 3 iterations. iteration 706: trace = 2.396631149848103 (0.00306846% change) linmin: converged after 3 iterations. iteration 707: trace = 2.396587001606654 (0.00184211% change) linmin: converged after 5 iterations. iteration 708: trace = 2.396555540043186 (0.00131277% change) linmin: converged after 3 iterations. iteration 709: trace = 2.39651035382986 (0.00188548% change) linmin: converged after 3 iterations. iteration 710: trace = 2.396488213001714 (0.000923882% change) large trace change predicted (0.00272143%) linmin: converged after 4 iterations. iteration 711: trace = 2.396423002488328 (0.00272112% change) linmin: converged after 4 iterations. iteration 712: trace = 2.396403051814631 (0.000832522% change) large trace change predicted (0.00184349%) linmin: converged after 3 iterations. iteration 713: trace = 2.396358881351837 (0.00184322% change) linmin: converged after 6 iterations. iteration 714: trace = 2.396341619417413 (0.000720343% change) large trace change predicted (0.00225756%) linmin: converged after 4 iterations. iteration 715: trace = 2.396287525336124 (0.00225739% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396267601013619 (0.00083147% change) large trace change predicted (0.00317843%) linmin: converged after 3 iterations. iteration 717: trace = 2.396191461661939 (0.00317746% change) linmin: converged after 4 iterations. iteration 718: trace = 2.396132593337453 (0.00245678% change) linmin: converged after 3 iterations. iteration 719: trace = 2.396061542316451 (0.00296528% change) linmin: converged after 4 iterations. iteration 720: trace = 2.395934508191947 (0.00530193% change) linmin: converged after 3 iterations. iteration 721: trace = 2.395893485519353 (0.00171219% change) linmin: converged after 3 iterations. iteration 722: trace = 2.395814597589881 (0.00329269% change) linmin: converged after 5 iterations. iteration 723: trace = 2.395794594872583 (0.000834906% change) large trace change predicted (0.00168735%) linmin: converged after 3 iterations. iteration 724: trace = 2.39575415854897 (0.00168782% change) linmin: converged after 5 iterations. iteration 725: trace = 2.395731227685537 (0.000957151% change) linmin: converged after 3 iterations. iteration 726: trace = 2.395723272255545 (0.000332067% change) large trace change predicted (0.000889453%) linmin: converged after 5 iterations. iteration 727: trace = 2.39570196193251 (0.000889519% change) linmin: converged after 3 iterations. iteration 728: trace = 2.395689449219308 (0.0005223% change) linmin: converged after 5 iterations. iteration 729: trace = 2.395673892488274 (0.000649366% change) large trace change predicted (0.00155132%) linmin: converged after 3 iterations. iteration 730: trace = 2.395636740071984 (0.00155082% change) linmin: converged after 4 iterations. iteration 731: trace = 2.395605242081563 (0.00131482% change) linmin: converged after 3 iterations. iteration 732: trace = 2.395563752443056 (0.00173192% change) linmin: converged after 7 iterations. iteration 733: trace = 2.395492369943809 (0.00297982% change) linmin: converged after 3 iterations. iteration 734: trace = 2.395465732703108 (0.00111198% change) large trace change predicted (0.00313128%) linmin: converged after 4 iterations. iteration 735: trace = 2.395390767577281 (0.00312951% change) linmin: converged after 3 iterations. iteration 736: trace = 2.39537334758221 (0.000727232% change) large trace change predicted (0.00242725%) linmin: converged after 3 iterations. iteration 737: trace = 2.395315238541984 (0.00242592% change) linmin: converged after 4 iterations. iteration 738: trace = 2.39528915629321 (0.00108889% change) linmin: converged after 3 iterations. iteration 739: trace = 2.395265504562724 (0.000987432% change) linmin: converged after 3 iterations. iteration 740: trace = 2.395230863797456 (0.00144623% change) linmin: converged after 5 iterations. iteration 741: trace = 2.395222843524861 (0.000334844% change) large trace change predicted (0.001124%) linmin: converged after 3 iterations. iteration 742: trace = 2.395195927284909 (0.00112375% change) linmin: converged after 3 iterations. iteration 743: trace = 2.395191004950057 (0.000205509% change) large trace change predicted (0.000541572%) linmin: converged after 5 iterations. iteration 744: trace = 2.395178032119191 (0.000541621% change) linmin: converged after 3 iterations. iteration 745: trace = 2.39516811522055 (0.000414037% change) linmin: converged after 7 iterations. iteration 746: trace = 2.395164216771646 (0.000162763% change) large trace change predicted (0.00036651%) linmin: converged after 5 iterations. iteration 747: trace = 2.395155437545249 (0.00036654% change) linmin: converged after 5 iterations. iteration 748: trace = 2.395152039917577 (0.000141854% change) large trace change predicted (0.000444577%) linmin: converged after 7 iterations. iteration 749: trace = 2.395141392131197 (0.000444557% change) linmin: converged after 5 iterations. iteration 750: trace = 2.395136844870953 (0.000189854% change) large trace change predicted (0.000609814%) linmin: converged after 4 iterations. iteration 751: trace = 2.395122238599133 (0.000609832% change) linmin: converged after 3 iterations. iteration 752: trace = 2.395115176437943 (0.000294856% change) large trace change predicted (0.00109718%) linmin: converged after 3 iterations. iteration 753: trace = 2.395088907836519 (0.00109676% change) linmin: converged after 3 iterations. iteration 754: trace = 2.3950676493261 (0.000887591% change) linmin: converged after 4 iterations. iteration 755: trace = 2.395039936233605 (0.0011571% change) linmin: converged after 4 iterations. iteration 756: trace = 2.394993127509488 (0.00195442% change) linmin: converged after 4 iterations. iteration 757: trace = 2.394982541414628 (0.00044201% change) large trace change predicted (0.00119967%) linmin: converged after 4 iterations. iteration 758: trace = 2.394953818921977 (0.00119928% change) linmin: converged after 8 iterations. iteration 759: trace = 2.394941328121293 (0.000521548% change) linmin: converged after 5 iterations. iteration 760: trace = 2.39493510976121 (0.000259646% change) linmin: converged after 4 iterations. iteration 761: trace = 2.394923877872541 (0.000468986% change) linmin: converged after 5 iterations. iteration 762: trace = 2.39492078177684 (0.000129277% change) large trace change predicted (0.000436793%) linmin: converged after 4 iterations. iteration 763: trace = 2.394910322104292 (0.000436745% change) linmin: converged after 2 iterations. iteration 764: trace = 2.394903639815297 (0.000279021% change) linmin: converged after 5 iterations. iteration 765: trace = 2.394898386486321 (0.000219355% change) linmin: converged after 3 iterations. iteration 766: trace = 2.3948901711584 (0.000343035% change) linmin: converged after 5 iterations. iteration 767: trace = 2.394885351583994 (0.000201244% change) linmin: converged after 4 iterations. iteration 768: trace = 2.394882014629378 (0.000139337% change) linmin: converged after 3 iterations. iteration 769: trace = 2.394878225127437 (0.000158233% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.394877014648029 (5.05445e-05% change) linmin: converged after 2 iterations. iteration 771: trace = 2.39487465487931 (9.85341e-05% change) linmin: converged after 5 iterations. iteration 772: trace = 2.394870672765335 (0.000166277% change) linmin: converged after 3 iterations. iteration 773: trace = 2.394867255668751 (0.000142684% change) large trace change predicted (0.000427549%) linmin: converged after 3 iterations. iteration 774: trace = 2.394857011970686 (0.000427736% change) linmin: converged after 4 iterations. iteration 775: trace = 2.394854008166852 (0.000125427% change) large trace change predicted (0.000377084%) linmin: converged after 3 iterations. iteration 776: trace = 2.394844973305389 (0.000377262% change) linmin: converged after 3 iterations. iteration 777: trace = 2.394838436272747 (0.000272963% change) linmin: converged after 4 iterations. iteration 778: trace = 2.394833934097646 (0.000187995% change) linmin: converged after 3 iterations. iteration 779: trace = 2.394826258356824 (0.000320513% change) linmin: converged after 4 iterations. iteration 780: trace = 2.394820815785205 (0.000227264% change) large trace change predicted (0.000563116%) linmin: converged after 3 iterations. iteration 781: trace = 2.394807334489256 (0.000562937% change) linmin: converged after 3 iterations. iteration 782: trace = 2.394795469095091 (0.000495465% change) linmin: converged after 4 iterations. iteration 783: trace = 2.394774236374753 (0.000886623% change) linmin: converged after 3 iterations. iteration 784: trace = 2.394749691391795 (0.00102494% change) linmin: converged after 4 iterations. iteration 785: trace = 2.394731234094245 (0.000770743% change) linmin: converged after 5 iterations. iteration 786: trace = 2.394708305266384 (0.000957474% change) linmin: converged after 5 iterations. iteration 787: trace = 2.394698536205438 (0.000407945% change) linmin: converged after 4 iterations. iteration 788: trace = 2.394679942395168 (0.00077646% change) linmin: converged after 3 iterations. iteration 789: trace = 2.394674304889603 (0.000235418% change) linmin: converged after 3 iterations. iteration 790: trace = 2.394665933791261 (0.000349572% change) linmin: converged after 5 iterations. iteration 791: trace = 2.394660634382787 (0.000221301% change) linmin: converged after 4 iterations. iteration 792: trace = 2.394656962665431 (0.000153329% change) linmin: converged after 5 iterations. iteration 793: trace = 2.394651240721882 (0.000238947% change) linmin: converged after 4 iterations. iteration 794: trace = 2.394647350460625 (0.000162456% change) large trace change predicted (0.000397058%) linmin: converged after 3 iterations. iteration 795: trace = 2.394637845868471 (0.000396911% change) linmin: converged after 4 iterations. iteration 796: trace = 2.394629184825382 (0.000361686% change) linmin: converged after 3 iterations. iteration 797: trace = 2.394621403319317 (0.000324957% change) large trace change predicted (0.000735294%) linmin: converged after 5 iterations. iteration 798: trace = 2.394603792478178 (0.000735436% change) linmin: converged after 4 iterations. iteration 799: trace = 2.394595342371438 (0.000352882% change) large trace change predicted (0.000825454%) linmin: converged after 5 iterations. iteration 800: trace = 2.394575572773594 (0.000825596% change) linmin: converged after 4 iterations. iteration 801: trace = 2.394552620109855 (0.000958532% change) linmin: converged after 4 iterations. iteration 802: trace = 2.394536094762651 (0.000690125% change) linmin: converged after 3 iterations. iteration 803: trace = 2.394503221464339 (0.00137286% change) linmin: converged after 3 iterations. iteration 804: trace = 2.394493953772992 (0.000387041% change) large trace change predicted (0.00180683%) linmin: converged after 3 iterations. iteration 805: trace = 2.394450707046395 (0.00180611% change) linmin: converged after 3 iterations. iteration 806: trace = 2.394439565758178 (0.000465297% change) linmin: converged after 3 iterations. iteration 807: trace = 2.394417576973415 (0.000918331% change) linmin: converged after 3 iterations. iteration 808: trace = 2.394396438344046 (0.000882834% change) linmin: converged after 4 iterations. iteration 809: trace = 2.394386114179481 (0.000431181% change) linmin: converged after 3 iterations. iteration 810: trace = 2.39437083720999 (0.000638035% change) linmin: converged after 4 iterations. iteration 811: trace = 2.394367302422987 (0.000147629% change) large trace change predicted (0.000424042%) linmin: converged after 5 iterations. iteration 812: trace = 2.39435714899629 (0.000424056% change) linmin: converged after 4 iterations. iteration 813: trace = 2.394353266186891 (0.000162165% change) linmin: converged after 4 iterations. iteration 814: trace = 2.394346885659644 (0.000266483% change) large trace change predicted (0.000653264%) linmin: converged after 3 iterations. iteration 815: trace = 2.394331251082984 (0.000652981% change) linmin: converged after 4 iterations. iteration 816: trace = 2.394322103631524 (0.000382047% change) large trace change predicted (0.00149756%) linmin: converged after 3 iterations. iteration 817: trace = 2.394286260033558 (0.00149704% change) linmin: converged after 3 iterations. iteration 818: trace = 2.394268892131122 (0.000725392% change) large trace change predicted (0.0019594%) linmin: converged after 4 iterations. iteration 819: trace = 2.394221996773473 (0.00195867% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394174368770471 (0.00198931% change) linmin: converged after 6 iterations. iteration 821: trace = 2.394152726408135 (0.000903963% change) linmin: converged after 4 iterations. iteration 822: trace = 2.394112688636423 (0.00167233% change) linmin: converged after 4 iterations. iteration 823: trace = 2.394091518282272 (0.000884271% change) linmin: converged after 4 iterations. iteration 824: trace = 2.394074102248869 (0.000727462% change) linmin: converged after 3 iterations. iteration 825: trace = 2.394054867070695 (0.000803453% change) linmin: converged after 5 iterations. iteration 826: trace = 2.394050102217208 (0.000199029% change) large trace change predicted (0.00061992%) linmin: converged after 5 iterations. iteration 827: trace = 2.394035260456245 (0.000619946% change) linmin: converged after 5 iterations. iteration 828: trace = 2.394025422149857 (0.000410952% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394016048475911 (0.000391545% change) large trace change predicted (0.000861558%) linmin: converged after 5 iterations. iteration 830: trace = 2.393995418515435 (0.000861734% change) linmin: converged after 5 iterations. iteration 831: trace = 2.393991744176726 (0.000153482% change) large trace change predicted (0.000866085%) linmin: converged after 5 iterations. iteration 832: trace = 2.393971009470859 (0.000866118% change) linmin: converged after 5 iterations. iteration 833: trace = 2.393963767758969 (0.000302498% change) large trace change predicted (0.000747214%) linmin: converged after 3 iterations. iteration 834: trace = 2.393945880754642 (0.000747174% change) linmin: converged after 5 iterations. iteration 835: trace = 2.393924624011985 (0.000887941% change) linmin: converged after 5 iterations. iteration 836: trace = 2.393916205973524 (0.000351642% change) large trace change predicted (0.00098125%) linmin: converged after 2 iterations. iteration 837: trace = 2.393892715604199 (0.000981258% change) linmin: converged after 5 iterations. iteration 838: trace = 2.393857449397415 (0.00147318% change) linmin: converged after 3 iterations. iteration 839: trace = 2.393829588989752 (0.00116384% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.393804025563275 (0.00106789% change) linmin: converged after 3 iterations. iteration 841: trace = 2.393774828504085 (0.0012197% change) linmin: converged after 4 iterations. iteration 842: trace = 2.393755998530393 (0.000786626% change) linmin: converged after 8 iterations. iteration 843: trace = 2.393747559945488 (0.000352525% change) large trace change predicted (0.000726862%) linmin: converged after 4 iterations. iteration 844: trace = 2.393730158916519 (0.000726939% change) linmin: converged after 5 iterations. iteration 845: trace = 2.393720672604045 (0.000396299% change) linmin: converged after 4 iterations. iteration 846: trace = 2.393711156171721 (0.000397559% change) linmin: converged after 5 iterations. iteration 847: trace = 2.39369940767949 (0.000490808% change) linmin: converged after 4 iterations. iteration 848: trace = 2.393693234735426 (0.000257883% change) linmin: converged after 3 iterations. iteration 849: trace = 2.39368515802481 (0.000337417% change) linmin: converged after 5 iterations. iteration 850: trace = 2.39368004378473 (0.000213656% change) large trace change predicted (0.000452428%) linmin: converged after 3 iterations. iteration 851: trace = 2.393669216145281 (0.000452344% change) linmin: converged after 4 iterations. iteration 852: trace = 2.39366163679972 (0.000316642% change) linmin: converged after 3 iterations. iteration 853: trace = 2.393654895214925 (0.000281644% change) linmin: converged after 4 iterations. iteration 854: trace = 2.393643079423613 (0.000493631% change) linmin: converged after 4 iterations. iteration 855: trace = 2.393639630092407 (0.000144104% change) large trace change predicted (0.000636264%) linmin: converged after 3 iterations. iteration 856: trace = 2.393624402334672 (0.000636178% change) linmin: converged after 7 iterations. iteration 857: trace = 2.393605649297879 (0.000783461% change) linmin: converged after 5 iterations. iteration 858: trace = 2.393594193976092 (0.000478581% change) large trace change predicted (0.00124898%) linmin: converged after 4 iterations. iteration 859: trace = 2.393564296913573 (0.00124905% change) linmin: converged after 3 iterations. iteration 860: trace = 2.393554595825263 (0.0004053% change) large trace change predicted (0.000833368%) linmin: converged after 3 iterations. iteration 861: trace = 2.393534644774039 (0.000833536% change) linmin: converged after 3 iterations. iteration 862: trace = 2.393521620604031 (0.000544141% change) linmin: converged after 5 iterations. iteration 863: trace = 2.393516508144897 (0.000213596% change) linmin: converged after 5 iterations. iteration 864: trace = 2.393509304131998 (0.000300981% change) linmin: converged after 3 iterations. iteration 865: trace = 2.393506371062888 (0.000122543% change) linmin: converged after 5 iterations. iteration 866: trace = 2.393504084862523 (9.55168e-05% change) linmin: converged after 3 iterations. iteration 867: trace = 2.393500329366273 (0.000156904% change) linmin: converged after 5 iterations. iteration 868: trace = 2.393499011463576 (5.50617e-05% change) large trace change predicted (0.000209347%) linmin: converged after 3 iterations. iteration 869: trace = 2.393494001271446 (0.000209325% change) linmin: converged after 3 iterations. iteration 870: trace = 2.393490057709143 (0.000164762% change) linmin: converged after 4 iterations. iteration 871: trace = 2.393485376445894 (0.000195583% change) large trace change predicted (0.000501343%) linmin: converged after 5 iterations. iteration 872: trace = 2.393473379779818 (0.000501223% change) linmin: converged after 5 iterations. iteration 873: trace = 2.393469305084413 (0.000170242% change) large trace change predicted (0.00059535%) linmin: converged after 5 iterations. iteration 874: trace = 2.393455059538459 (0.000595186% change) linmin: converged after 5 iterations. iteration 875: trace = 2.393447923021525 (0.000298168% change) linmin: converged after 3 iterations. iteration 876: trace = 2.393443193886192 (0.000197587% change) linmin: converged after 4 iterations. iteration 877: trace = 2.393433976163975 (0.000385125% change) linmin: converged after 4 iterations. iteration 878: trace = 2.39342702318979 (0.000290502% change) linmin: converged after 5 iterations. iteration 879: trace = 2.393423726605127 (0.000137735% change) linmin: converged after 4 iterations. iteration 880: trace = 2.393418156100133 (0.000232742% change) linmin: converged after 4 iterations. iteration 881: trace = 2.39341656409287 (6.65161e-05% change) linmin: converged after 4 iterations. iteration 882: trace = 2.393413505801845 (0.000127779% change) linmin: converged after 3 iterations. iteration 883: trace = 2.39341105007881 (0.000102603% change) linmin: converged after 4 iterations. iteration 884: trace = 2.393410115449325 (3.90501e-05% change) large trace change predicted (9.16567e-05%) linmin: converged after 5 iterations. iteration 885: trace = 2.393407921550249 (9.16642e-05% change) linmin: converged after 12 iterations. iteration 886: trace = 2.393407235993297 (2.86436e-05% change) large trace change predicted (7.70155e-05%) linmin: converged after 4 iterations. iteration 887: trace = 2.393405392371923 (7.70292e-05% change) linmin: converged after 3 iterations. iteration 888: trace = 2.393403927693894 (6.11964e-05% change) linmin: converged after 4 iterations. iteration 889: trace = 2.393402737492646 (4.97284e-05% change) large trace change predicted (0.000125231%) linmin: converged after 3 iterations. iteration 890: trace = 2.393399740518416 (0.000125218% change) linmin: converged after 3 iterations. iteration 891: trace = 2.39339785495571 (7.87818e-05% change) large trace change predicted (0.000277257%) linmin: converged after 3 iterations. iteration 892: trace = 2.393391221024866 (0.000277177% change) linmin: converged after 3 iterations. iteration 893: trace = 2.393384679989163 (0.000273296% change) linmin: converged after 4 iterations. iteration 894: trace = 2.393380881369228 (0.000158713% change) linmin: converged after 5 iterations. iteration 895: trace = 2.393375276213682 (0.000234194% change) linmin: converged after 4 iterations. iteration 896: trace = 2.39337215872309 (0.000130255% change) linmin: converged after 3 iterations. iteration 897: trace = 2.393369477437145 (0.00011203% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393366457179658 (0.000126193% change) linmin: converged after 4 iterations. iteration 899: trace = 2.393365827164454 (2.63234e-05% change) large trace change predicted (5.29277e-05%) linmin: converged after 5 iterations. iteration 900: trace = 2.393364560386271 (5.29287e-05% change) linmin: converged after 5 iterations. iteration 901: trace = 2.393363712527959 (3.54254e-05% change) linmin: converged after 6 iterations. iteration 902: trace = 2.393362632127606 (4.51415e-05% change) linmin: converged after 2 iterations. iteration 903: trace = 2.393361237453131 (5.82726e-05% change) linmin: converged after 9 iterations. iteration 904: trace = 2.393360403964787 (3.4825e-05% change) large trace change predicted (7.13896e-05%) linmin: converged after 3 iterations. iteration 905: trace = 2.393358695517201 (7.13828e-05% change) linmin: converged after 4 iterations. iteration 906: trace = 2.393358154455008 (2.26068e-05% change) linmin: converged after 4 iterations. iteration 907: trace = 2.393357242414567 (3.81072e-05% change) linmin: converged after 5 iterations. iteration 908: trace = 2.39335703404682 (8.70609e-06% change) large trace change predicted (2.92701e-05%) linmin: converged after 6 iterations. iteration 909: trace = 2.393356333543398 (2.92687e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.393355659655044 (2.81566e-05% change) linmin: converged after 17 iterations. iteration 911: trace = 2.393355380794467 (1.16514e-05% change) large trace change predicted (3.53001e-05%) linmin: converged after 5 iterations. iteration 912: trace = 2.393354535886066 (3.53023e-05% change) linmin: converged after 9 iterations. iteration 913: trace = 2.393352970415462 (6.54091e-05% change) linmin: converged after 7 iterations. iteration 914: trace = 2.393352357618928 (2.56041e-05% change) large trace change predicted (7.68322e-05%) linmin: converged after 3 iterations. iteration 915: trace = 2.393350518624184 (7.68376e-05% change) linmin: converged after 5 iterations. iteration 916: trace = 2.393349666586766 (3.56002e-05% change) linmin: converged after 6 iterations. iteration 917: trace = 2.393348573002798 (4.56926e-05% change) linmin: converged after 5 iterations. iteration 918: trace = 2.393347455113285 (4.67082e-05% change) linmin: converged after 5 iterations. iteration 919: trace = 2.393346763639274 (2.88915e-05% change) large trace change predicted (9.04035e-05%) linmin: converged after 3 iterations. iteration 920: trace = 2.393344600039199 (9.04007e-05% change) linmin: converged after 6 iterations. iteration 921: trace = 2.393342125562528 (0.00010339% change) linmin: converged after 4 iterations. iteration 922: trace = 2.393339262198401 (0.000119639% change) large trace change predicted (0.000242511%) linmin: converged after 5 iterations. iteration 923: trace = 2.393333457773962 (0.000242524% change) linmin: converged after 5 iterations. iteration 924: trace = 2.393330415035397 (0.000127134% change) linmin: converged after 3 iterations. iteration 925: trace = 2.393326601304706 (0.000159348% change) linmin: converged after 3 iterations. iteration 926: trace = 2.393321088129924 (0.000230356% change) linmin: converged after 5 iterations. iteration 927: trace = 2.393320015918313 (4.48002e-05% change) large trace change predicted (0.000120657%) linmin: converged after 7 iterations. iteration 928: trace = 2.393317128423814 (0.000120648% change) linmin: converged after 7 iterations. iteration 929: trace = 2.393316580512157 (2.28934e-05% change) large trace change predicted (6.39911e-05%) linmin: converged after 15 iterations. iteration 930: trace = 2.39331504915272 (6.39848e-05% change) linmin: converged after 4 iterations. iteration 931: trace = 2.393314153799756 (3.74106e-05% change) linmin: converged after 5 iterations. iteration 932: trace = 2.393313630907137 (2.18481e-05% change) large trace change predicted (6.45552e-05%) linmin: converged after 3 iterations. iteration 933: trace = 2.393312085973623 (6.45521e-05% change) linmin: converged after 7 iterations. iteration 934: trace = 2.393311132737265 (3.98292e-05% change) linmin: converged after 3 iterations. iteration 935: trace = 2.393309427725525 (7.12407e-05% change) linmin: converged after 7 iterations. iteration 936: trace = 2.393306791481185 (0.000110151% change) linmin: converged after 5 iterations. iteration 937: trace = 2.393305564382991 (5.12721e-05% change) large trace change predicted (0.000145808%) linmin: converged after 5 iterations. iteration 938: trace = 2.393302074956817 (0.0001458% change) linmin: converged after 5 iterations. iteration 939: trace = 2.393297955426769 (0.000172128% change) linmin: converged after 5 iterations. iteration 940: trace = 2.393295625187148 (9.73653e-05% change) large trace change predicted (0.000302566%) linmin: converged after 10 iterations. iteration 941: trace = 2.393288384507268 (0.000302541% change) linmin: converged after 6 iterations. iteration 942: trace = 2.393286758184794 (6.79535e-05% change) large trace change predicted (0.000301311%) linmin: converged after 11 iterations. iteration 943: trace = 2.393279547912353 (0.000301271% change) linmin: converged after 3 iterations. iteration 944: trace = 2.393276717214049 (0.000118277% change) linmin: converged after 3 iterations. iteration 945: trace = 2.393273326057891 (0.000141695% change) linmin: converged after 3 iterations. iteration 946: trace = 2.393267527801822 (0.000242273% change) linmin: converged after 3 iterations. iteration 947: trace = 2.393266083152702 (6.03631e-05% change) large trace change predicted (0.000151591%) linmin: converged after 6 iterations. iteration 948: trace = 2.393262455058196 (0.000151596% change) linmin: converged after 7 iterations. iteration 949: trace = 2.393261450830913 (4.19606e-05% change) linmin: converged after 7 iterations. iteration 950: trace = 2.393259917266124 (6.40785e-05% change) linmin: converged after 5 iterations. iteration 951: trace = 2.393258789083633 (4.714e-05% change) linmin: converged after 8 iterations. iteration 952: trace = 2.393258134364611 (2.73568e-05% change) large trace change predicted (9.71787e-05%) linmin: converged after 4 iterations. iteration 953: trace = 2.393255808788846 (9.7172e-05% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393254771930889 (4.33242e-05% change) large trace change predicted (0.000210888%) linmin: converged after 3 iterations. iteration 955: trace = 2.393249725651966 (0.000210854% change) linmin: converged after 3 iterations. iteration 956: trace = 2.393245913367389 (0.000159293% change) linmin: converged after 3 iterations. iteration 957: trace = 2.393240952909346 (0.000207269% change) linmin: converged after 5 iterations. iteration 958: trace = 2.393232438307667 (0.000355778% change) linmin: converged after 3 iterations. iteration 959: trace = 2.393228802148451 (0.000151935% change) large trace change predicted (0.000402992%) linmin: converged after 4 iterations. iteration 960: trace = 2.393219156902439 (0.000403023% change) linmin: converged after 3 iterations. iteration 961: trace = 2.393214154652635 (0.000209018% change) linmin: converged after 4 iterations. iteration 962: trace = 2.39320982378452 (0.000180965% change) linmin: converged after 3 iterations. iteration 963: trace = 2.39320679400612 (0.000126599% change) linmin: converged after 8 iterations. iteration 964: trace = 2.393205203958629 (6.64401e-05% change) linmin: converged after 5 iterations. iteration 965: trace = 2.393203159477461 (8.54286e-05% change) linmin: converged after 3 iterations. iteration 966: trace = 2.393201902268457 (5.25325e-05% change) linmin: converged after 3 iterations. iteration 967: trace = 2.39319983994358 (8.61743e-05% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393197301777089 (0.000106057% change) linmin: converged after 3 iterations. iteration 969: trace = 2.393195352619051 (8.14458e-05% change) linmin: converged after 6 iterations. iteration 970: trace = 2.393193394413829 (8.18239e-05% change) linmin: converged after 4 iterations. iteration 971: trace = 2.393191759869383 (6.82997e-05% change) linmin: converged after 5 iterations. iteration 972: trace = 2.393189127926617 (0.000109976% change) linmin: converged after 4 iterations. iteration 973: trace = 2.393187705260996 (5.94465e-05% change) large trace change predicted (0.000180709%) linmin: converged after 6 iterations. iteration 974: trace = 2.393183380241736 (0.000180722% change) linmin: converged after 9 iterations. iteration 975: trace = 2.393180413817354 (0.000123953% change) linmin: converged after 3 iterations. iteration 976: trace = 2.393177393234438 (0.000126216% change) linmin: converged after 5 iterations. iteration 977: trace = 2.393173322894102 (0.000170081% change) linmin: converged after 3 iterations. iteration 978: trace = 2.393170281409011 (0.00012709% change) large trace change predicted (0.00057707%) linmin: converged after 6 iterations. iteration 979: trace = 2.393156466445102 (0.000577268% change) resetting CG direction... linmin: converged after 5 iterations. iteration 980: trace = 2.393148820683019 (0.000319485% change) linmin: converged after 3 iterations. iteration 981: trace = 2.393143263206158 (0.000232225% change) linmin: converged after 5 iterations. iteration 982: trace = 2.393139190221388 (0.000170194% change) linmin: converged after 4 iterations. iteration 983: trace = 2.393137703063276 (6.21426e-05% change) linmin: converged after 6 iterations. iteration 984: trace = 2.393135415695499 (9.55803e-05% change) linmin: converged after 6 iterations. iteration 985: trace = 2.393132342187867 (0.00012843% change) linmin: converged after 6 iterations. iteration 986: trace = 2.393131647144433 (2.90433e-05% change) large trace change predicted (7.2714e-05%) linmin: converged after 5 iterations. iteration 987: trace = 2.393129907028924 (7.27129e-05% change) linmin: converged after 4 iterations. iteration 988: trace = 2.393128600639678 (5.45892e-05% change) linmin: converged after 19 iterations. iteration 989: trace = 2.393127842717068 (3.16708e-05% change) linmin: converged after 4 iterations. iteration 990: trace = 2.393126559530431 (5.36197e-05% change) linmin: converged after 3 iterations. iteration 991: trace = 2.393125933694034 (2.61514e-05% change) large trace change predicted (7.19122e-05%) linmin: converged after 6 iterations. iteration 992: trace = 2.393124212680483 (7.19149e-05% change) linmin: converged after 6 iterations. iteration 993: trace = 2.393123215398165 (4.16728e-05% change) linmin: converged after 4 iterations. iteration 994: trace = 2.393122513918694 (2.93123e-05% change) linmin: converged after 4 iterations. iteration 995: trace = 2.393121209909442 (5.44899e-05% change) linmin: converged after 3 iterations. iteration 996: trace = 2.393120130937897 (4.50864e-05% change) linmin: converged after 9 iterations. iteration 997: trace = 2.393118135375395 (8.33875e-05% change) large trace change predicted (0.000170836%) linmin: converged after 9 iterations. iteration 998: trace = 2.393114046913042 (0.000170843% change) linmin: converged after 9 iterations. iteration 999: trace = 2.393112016822831 (8.48305e-05% change) linmin: converged after 3 iterations. iteration 1000: trace = 2.393108327974015 (0.000154145% change) linmin: converged after 27 iterations. iteration 1001: trace = 2.393107056627616 (5.31253e-05% change) linmin: converged after 9 iterations. iteration 1002: trace = 2.393105146697351 (7.98097e-05% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.393103670627412 (6.16801e-05% change) linmin: converged after 8 iterations. iteration 1004: trace = 2.393103197149017 (1.97851e-05% change) large trace change predicted (4.01641e-05%) linmin: converged after 5 iterations. iteration 1005: trace = 2.393102235962525 (4.01649e-05% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.393102054897543 (7.56612e-06% change) large trace change predicted (1.8112e-05%) linmin: converged after 5 iterations. iteration 1007: trace = 2.393101621465475 (1.81117e-05% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.393101258956424 (1.51481e-05% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.393100992955944 (1.11153e-05% change) large trace change predicted (2.98027e-05%) linmin: converged after 6 iterations. iteration 1010: trace = 2.393100279758434 (2.98022e-05% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.39309984341749 (1.82333e-05% change) large trace change predicted (5.73236e-05%) linmin: converged after 4 iterations. iteration 1012: trace = 2.393098471608673 (5.73235e-05% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.393097039191352 (5.98562e-05% change) linmin: converged after 3 iterations. iteration 1014: trace = 2.393096378787537 (2.75962e-05% change) large trace change predicted (6.04324e-05%) linmin: converged after 8 iterations. iteration 1015: trace = 2.393094932687442 (6.0428e-05% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.39309418412836 (3.128e-05% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.393093349987562 (3.48562e-05% change) linmin: converged after 6 iterations. iteration 1018: trace = 2.393092100335206 (5.22191e-05% change) linmin: converged after 5 iterations. iteration 1019: trace = 2.393091555996878 (2.27462e-05% change) linmin: converged after 13 iterations. iteration 1020: trace = 2.393090654332144 (3.76778e-05% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.393090409929963 (1.02128e-05% change) linmin: converged after 9 iterations. iteration 1022: trace = 2.393089988192824 (1.76231e-05% change) linmin: converged after 22 iterations. iteration 1023: trace = 2.393089668368299 (1.33645e-05% change) linmin: converged after 5 iterations. iteration 1024: trace = 2.3930893789737 (1.20929e-05% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.393089143386002 (9.8445e-06% change) linmin: converged after 3 iterations. iteration 1026: trace = 2.393088975241273 (7.02626e-06% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.393088778190797 (8.23415e-06% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.39308866950356 (4.54171e-06% change) large trace change predicted (1.04212e-05%) linmin: converged after 4 iterations. iteration 1029: trace = 2.393088420118191 (1.04211e-05% change) linmin: converged after 5 iterations. iteration 1030: trace = 2.393088192375171 (9.5167e-06% change) linmin: converged after 3 iterations. iteration 1031: trace = 2.393087904057566 (1.20479e-05% change) large trace change predicted (2.75723e-05%) linmin: converged after 4 iterations. iteration 1032: trace = 2.393087244238572 (2.75719e-05% change) linmin: converged after 5 iterations. iteration 1033: trace = 2.393086885158294 (1.50049e-05% change) large trace change predicted (4.72975e-05%) linmin: converged after 5 iterations. iteration 1034: trace = 2.393085753316162 (4.72963e-05% change) linmin: converged after 5 iterations. iteration 1035: trace = 2.393085265681007 (2.03768e-05% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.393084675005635 (2.46826e-05% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.393083913724251 (3.18117e-05% change) linmin: converged after 5 iterations. iteration 1038: trace = 2.393083727107828 (7.79816e-06% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.393083357050529 (1.54636e-05% change) linmin: converged after 7 iterations. iteration 1040: trace = 2.393083267058079 (3.76052e-06% change) large trace change predicted (7.59378e-06%) linmin: converged after 12 iterations. iteration 1041: trace = 2.393083085335721 (7.59365e-06% change) linmin: converged after 3 iterations. iteration 1042: trace = 2.393082986168087 (4.14393e-06% change) linmin: converged after 8 iterations. iteration 1043: trace = 2.393082895074429 (3.80654e-06% change) large trace change predicted (9.19154e-06%) linmin: converged after 3 iterations. iteration 1044: trace = 2.393082675110845 (9.19164e-06% change) linmin: converged after 13 iterations. iteration 1045: trace = 2.393082605418996 (2.91222e-06% change) large trace change predicted (1.08304e-05%) linmin: converged after 5 iterations. iteration 1046: trace = 2.393082346243203 (1.08302e-05% change) linmin: converged after 3 iterations. iteration 1047: trace = 2.393082251473396 (3.96016e-06% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.393082112319131 (5.81486e-06% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.393082037967249 (3.10695e-06% change) resetting CG direction... linmin: converged after 18 iterations. iteration 1050: trace = 2.393082007238015 (1.28409e-06% change) large trace change predicted (3.85172e-06%) linmin: converged after 4 iterations. iteration 1051: trace = 2.393081915063287 (3.85172e-06% change) large trace change predicted (8.30516e-06%) linmin: converged after 5 iterations. iteration 1052: trace = 2.393081716306549 (8.30547e-06% change) linmin: converged after 5 iterations. iteration 1053: trace = 2.393081588704116 (5.33214e-06% change) large trace change predicted (1.20971e-05%) linmin: converged after 5 iterations. iteration 1054: trace = 2.39308129919966 (1.20976e-05% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.393081239577628 (2.49143e-06% change) large trace change predicted (6.09993e-06%) linmin: converged after 10 iterations. iteration 1056: trace = 2.393081093599923 (6.09999e-06% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.393080942144003 (6.32891e-06% change) linmin: converged after 7 iterations. iteration 1058: trace = 2.393080835648296 (4.45015e-06% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.393080629235588 (8.6254e-06% change) linmin: converged after 4 iterations. iteration 1060: trace = 2.393080320566966 (1.28984e-05% change) linmin: converged after 5 iterations. iteration 1061: trace = 2.393080013096721 (1.28483e-05% change) large trace change predicted (3.50116e-05%) linmin: converged after 3 iterations. iteration 1062: trace = 2.393079175227922 (3.50122e-05% change) linmin: converged after 5 iterations. iteration 1063: trace = 2.393078870041192 (1.27529e-05% change) large trace change predicted (3.75728e-05%) linmin: converged after 5 iterations. iteration 1064: trace = 2.393077970872295 (3.75737e-05% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.393077483373728 (2.03712e-05% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.393077231371378 (1.05305e-05% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.393076838003918 (1.64377e-05% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.393076730347147 (4.49868e-06% change) large trace change predicted (1.05373e-05%) linmin: converged after 7 iterations. iteration 1069: trace = 2.393076478179459 (1.05374e-05% change) linmin: converged after 23 iterations. iteration 1070: trace = 2.393076395649521 (3.4487e-06% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.393076264534815 (5.47892e-06% change) linmin: converged after 4 iterations. iteration 1072: trace = 2.393076101504652 (6.81258e-06% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393076030864199 (2.95187e-06% change) large trace change predicted (1.24739e-05%) linmin: converged after 5 iterations. iteration 1074: trace = 2.393075732359744 (1.24737e-05% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.39307557780586 (6.45838e-06% change) large trace change predicted (1.85579e-05%) linmin: converged after 4 iterations. iteration 1076: trace = 2.393075133703468 (1.85578e-05% change) linmin: converged after 5 iterations. iteration 1077: trace = 2.393074664386901 (1.96114e-05% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.393074370045031 (1.22997e-05% change) large trace change predicted (2.75948e-05%) linmin: converged after 2 iterations. iteration 1079: trace = 2.393073709666091 (2.75954e-05% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.393073087234092 (2.60097e-05% change) linmin: converged after 11 iterations. iteration 1081: trace = 2.393072649221103 (1.83034e-05% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393071844985338 (3.36068e-05% change) linmin: converged after 7 iterations. iteration 1083: trace = 2.39307159826055 (1.031e-05% change) large trace change predicted (3.93281e-05%) linmin: converged after 3 iterations. iteration 1084: trace = 2.393070657120178 (3.93277e-05% change) linmin: converged after 10 iterations. iteration 1085: trace = 2.39307026383351 (1.64344e-05% change) linmin: converged after 3 iterations. iteration 1086: trace = 2.393069877094296 (1.61608e-05% change) linmin: converged after 3 iterations. iteration 1087: trace = 2.39306945145601 (1.77863e-05% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.393069328644187 (5.13198e-06% change) large trace change predicted (1.42559e-05%) linmin: converged after 7 iterations. iteration 1089: trace = 2.393068987483887 (1.42562e-05% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.393068877947923 (4.57722e-06% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.393068704499327 (7.24796e-06% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.393068433588625 (1.13206e-05% change) linmin: converged after 5 iterations. iteration 1093: trace = 2.393068221482777 (8.86334e-06% change) large trace change predicted (1.94018e-05%) linmin: converged after 8 iterations. iteration 1094: trace = 2.393067757205386 (1.94009e-05% change) linmin: converged after 8 iterations. iteration 1095: trace = 2.393067045153549 (2.97548e-05% change) linmin: converged after 3 iterations. iteration 1096: trace = 2.393066284570645 (3.17828e-05% change) linmin: converged after 6 iterations. iteration 1097: trace = 2.393065015380512 (5.30362e-05% change) linmin: converged after 6 iterations. iteration 1098: trace = 2.393064484712621 (2.21752e-05% change) linmin: converged after 12 iterations. iteration 1099: trace = 2.393063492782522 (4.14502e-05% change) linmin: converged after 5 iterations. iteration 1100: trace = 2.393062837968707 (2.7363e-05% change) linmin: converged after 3 iterations. iteration 1101: trace = 2.39306240957159 (1.79016e-05% change) linmin: converged after 6 iterations. iteration 1102: trace = 2.393061800331865 (2.54586e-05% change) linmin: converged after 7 iterations. iteration 1103: trace = 2.393061651687622 (6.21147e-06% change) large trace change predicted (1.57166e-05%) linmin: converged after 7 iterations. iteration 1104: trace = 2.393061275573826 (1.57168e-05% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.393060873819485 (1.67883e-05% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.393060629307653 (1.02175e-05% change) linmin: converged after 5 iterations. iteration 1107: trace = 2.393060294911532 (1.39736e-05% change) linmin: converged after 3 iterations. iteration 1108: trace = 2.393060103432838 (8.00142e-06% change) linmin: converged after 3 iterations. iteration 1109: trace = 2.393059798564727 (1.27397e-05% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.393059445962554 (1.47344e-05% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.393059290141527 (6.51137e-06% change) large trace change predicted (1.88945e-05%) linmin: converged after 4 iterations. iteration 1112: trace = 2.393058837978987 (1.88948e-05% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.393058642943155 (8.15006e-06% change) linmin: converged after 5 iterations. iteration 1114: trace = 2.393058333176427 (1.29444e-05% change) large trace change predicted (2.62143e-05%) linmin: converged after 4 iterations. iteration 1115: trace = 2.393057705840221 (2.62148e-05% change) linmin: converged after 5 iterations. iteration 1116: trace = 2.393057400450494 (1.27615e-05% change) large trace change predicted (0.000112416%) linmin: converged after 4 iterations. iteration 1117: trace = 2.393054710257005 (0.000112417% change) linmin: converged after 8 iterations. iteration 1118: trace = 2.39305322085542 (6.22385e-05% change) large trace change predicted (0.000326096%) linmin: converged after 5 iterations. iteration 1119: trace = 2.39304541601138 (0.000326146% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1120: trace = 2.393043646940033 (7.39256e-05% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.393042882581226 (3.19409e-05% change) linmin: converged after 5 iterations. iteration 1122: trace = 2.393042071887971 (3.38771e-05% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.393041966178362 (4.41737e-06% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393041820056835 (6.1061e-06% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.393041756926044 (2.6381e-06% change) linmin: converged after 6 iterations. iteration 1126: trace = 2.39304173582186 (8.81898e-07% change) large trace change predicted (2.26717e-06%) linmin: converged after 4 iterations. iteration 1127: trace = 2.393041681568127 (2.26715e-06% change) linmin: converged after 5 iterations. iteration 1128: trace = 2.393041652856957 (1.19978e-06% change) linmin: converged after 4 iterations. iteration 1129: trace = 2.393041638031863 (6.19508e-07% change) large trace change predicted (2.43899e-06%) linmin: converged after 4 iterations. iteration 1130: trace = 2.393041579666193 (2.43897e-06% change) linmin: converged after 4 iterations. iteration 1131: trace = 2.393041559831514 (8.28848e-07% change) large trace change predicted (2.82255e-06%) linmin: converged after 5 iterations. iteration 1132: trace = 2.393041492287197 (2.82253e-06% change) linmin: converged after 6 iterations. iteration 1133: trace = 2.39304144508565 (1.97245e-06% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.393041410278848 (1.4545e-06% change) linmin: converged after 3 iterations. iteration 1135: trace = 2.393041354196498 (2.34356e-06% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.393041318128271 (1.50721e-06% change) large trace change predicted (3.21497e-06%) linmin: converged after 5 iterations. iteration 1137: trace = 2.393041241194111 (3.21491e-06% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.393041165880047 (3.14721e-06% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393041131707635 (1.42799e-06% change) large trace change predicted (3.5721e-06%) linmin: converged after 4 iterations. iteration 1140: trace = 2.39304104622609 (3.57209e-06% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.393041006583587 (1.65657e-06% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.393040959432663 (1.97034e-06% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.393040869867083 (3.74275e-06% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.393040850350974 (8.15536e-07% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.393040813311895 (1.54778e-06% change) linmin: converged after 5 iterations. iteration 1146: trace = 2.393040804395994 (3.72576e-07% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.393040786911678 (7.30632e-07% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.393040776076815 (4.52765e-07% change) linmin: converged after 4 iterations. iteration 1149: trace = 2.393040771795067 (1.78925e-07% change) large trace change predicted (4.77232e-07%) linmin: converged after 4 iterations. iteration 1150: trace = 2.393040760374764 (4.7723e-07% change) linmin: converged after 5 iterations. iteration 1151: trace = 2.393040749411738 (4.58121e-07% change) linmin: converged after 2 iterations. iteration 1152: trace = 2.39304073550174 (5.81269e-07% change) linmin: converged after 3 iterations. iteration 1153: trace = 2.393040716321591 (8.01497e-07% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.393040703401393 (5.39907e-07% change) linmin: converged after 4 iterations. iteration 1155: trace = 2.393040678557899 (1.03816e-06% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.393040663960899 (6.09977e-07% change) large trace change predicted (1.55456e-06%) linmin: converged after 4 iterations. iteration 1157: trace = 2.393040626760005 (1.55454e-06% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.393040610617195 (6.74573e-07% change) linmin: converged after 4 iterations. iteration 1159: trace = 2.393040584532229 (1.09003e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393040555652909 (1.2068e-06% change) linmin: converged after 10 iterations. iteration 1161: trace = 2.393040530278833 (1.06033e-06% change) linmin: converged after 6 iterations. iteration 1162: trace = 2.393040502876753 (1.14507e-06% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.39304049204459 (4.52653e-07% change) large trace change predicted (1.01938e-06%) linmin: converged after 4 iterations. iteration 1164: trace = 2.393040467650592 (1.01937e-06% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.393040460195416 (3.11536e-07% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.393040447989636 (5.10053e-07% change) linmin: converged after 5 iterations. iteration 1167: trace = 2.39304044284926 (2.14805e-07% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.393040437268116 (2.33224e-07% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.393040430735214 (2.72996e-07% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393040428354007 (9.95055e-08% change) large trace change predicted (2.74347e-07%) linmin: converged after 4 iterations. iteration 1171: trace = 2.39304042178852 (2.74358e-07% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393040410925102 (4.53959e-07% change) linmin: converged after 8 iterations. iteration 1173: trace = 2.393040405840831 (2.12461e-07% change) large trace change predicted (7.8454e-07%) linmin: converged after 4 iterations. iteration 1174: trace = 2.393040387066197 (7.84551e-07% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.393040377856076 (3.84871e-07% change) large trace change predicted (1.29214e-06%) linmin: converged after 4 iterations. iteration 1176: trace = 2.393040346934757 (1.29214e-06% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.393040330084703 (7.04127e-07% change) linmin: converged after 12 iterations. iteration 1178: trace = 2.393040323719554 (2.65986e-07% change) large trace change predicted (7.16265e-07%) linmin: converged after 4 iterations. iteration 1179: trace = 2.393040306578897 (7.16271e-07% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.393040303762541 (1.17689e-07% change) linmin: converged after 4 iterations. iteration 1181: trace = 2.39304029813107 (2.35327e-07% change) linmin: converged after 22 iterations. iteration 1182: trace = 2.393040295747557 (9.96019e-08% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.393040294617133 (4.7238e-08% change) linmin: converged after 8 iterations. iteration 1184: trace = 2.393040292369565 (9.3921e-08% change) linmin: converged after 6 iterations. iteration 1185: trace = 2.393040291152745 (5.08483e-08% change) large trace change predicted (1.20088e-07%) linmin: converged after 5 iterations. iteration 1186: trace = 2.393040288278744 (1.20098e-07% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.393040284608034 (1.53391e-07% change) linmin: converged after 24 iterations. iteration 1188: trace = 2.393040283369582 (5.17522e-08% change) large trace change predicted (1.53784e-07%) linmin: converged after 4 iterations. iteration 1189: trace = 2.393040279689108 (1.53799e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.393040278566091 (4.69285e-08% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393040277882114 (2.85819e-08% change) large trace change predicted (9.6316e-08%) linmin: converged after 4 iterations. iteration 1192: trace = 2.39304027557719 (9.63178e-08% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.393040274907107 (2.80013e-08% change) large trace change predicted (1.0974e-07%) linmin: converged after 4 iterations. iteration 1194: trace = 2.393040272281169 (1.09732e-07% change) linmin: converged after 4 iterations. iteration 1195: trace = 2.393040271288429 (4.14845e-08% change) large trace change predicted (1.50588e-07%) linmin: converged after 4 iterations. iteration 1196: trace = 2.393040267685092 (1.50576e-07% change) linmin: converged after 3 iterations. iteration 1197: trace = 2.393040266388687 (5.4174e-08% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.393040264029744 (9.85751e-08% change) linmin: converged after 3 iterations. iteration 1199: trace = 2.393040261684892 (9.79863e-08% change) linmin: converged after 8 iterations. iteration 1200: trace = 2.39304025932184 (9.87469e-08% change) linmin: converged after 7 iterations. iteration 1201: trace = 2.393040257786655 (6.41521e-08% change) large trace change predicted (1.52195e-07%) linmin: converged after 5 iterations. iteration 1202: trace = 2.393040254144738 (1.52188e-07% change) linmin: converged after 4 iterations. iteration 1203: trace = 2.393040251204099 (1.22883e-07% change) large trace change predicted (2.81527e-07%) linmin: converged after 4 iterations. iteration 1204: trace = 2.393040244466859 (2.81535e-07% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.393040239641079 (2.01659e-07% change) large trace change predicted (4.78173e-07%) linmin: converged after 4 iterations. iteration 1206: trace = 2.393040228198482 (4.78161e-07% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.393040219819049 (3.50158e-07% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.393040206325926 (5.63849e-07% change) linmin: converged after 9 iterations. iteration 1209: trace = 2.393040200111503 (2.59687e-07% change) large trace change predicted (5.74043e-07%) linmin: converged after 5 iterations. iteration 1210: trace = 2.393040186374018 (5.7406e-07% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.393040182015311 (1.82141e-07% change) large trace change predicted (4.56059e-07%) linmin: converged after 3 iterations. iteration 1212: trace = 2.393040171101465 (4.56066e-07% change) linmin: converged after 3 iterations. iteration 1213: trace = 2.393040168266493 (1.18467e-07% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.393040162880326 (2.25076e-07% change) linmin: converged after 4 iterations. iteration 1215: trace = 2.393040158945483 (1.64429e-07% change) linmin: converged after 5 iterations. iteration 1216: trace = 2.393040155814921 (1.30819e-07% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393040152256431 (1.48702e-07% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.393040149496821 (1.15318e-07% change) large trace change predicted (3.12905e-07%) linmin: converged after 4 iterations. iteration 1219: trace = 2.393040142008627 (3.12916e-07% change) linmin: converged after 4 iterations. iteration 1220: trace = 2.393040137653335 (1.81998e-07% change) large trace change predicted (4.49923e-07%) linmin: converged after 4 iterations. iteration 1221: trace = 2.393040126886135 (4.49938e-07% change) linmin: converged after 8 iterations. iteration 1222: trace = 2.393040116877764 (4.18228e-07% change) linmin: converged after 5 iterations. iteration 1223: trace = 2.393040103915056 (5.41684e-07% change) linmin: converged after 5 iterations. iteration 1224: trace = 2.393040085078653 (7.87133e-07% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.393040080235173 (2.02399e-07% change) large trace change predicted (9.48464e-07%) linmin: converged after 4 iterations. iteration 1226: trace = 2.393040057538225 (9.48457e-07% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393040048943861 (3.5914e-07% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.393040038952894 (4.17501e-07% change) linmin: converged after 4 iterations. iteration 1229: trace = 2.393040021283367 (7.38372e-07% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.393040014832273 (2.69577e-07% change) large trace change predicted (7.47553e-07%) linmin: converged after 6 iterations. iteration 1231: trace = 2.393039996942858 (7.4756e-07% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.393039992219391 (1.97384e-07% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.39303998546932 (2.82071e-07% change) linmin: converged after 15 iterations. iteration 1234: trace = 2.39303998195343 (1.46922e-07% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.39303997961495 (9.77201e-08% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.393039976751123 (1.19673e-07% change) linmin: converged after 10 iterations. iteration 1237: trace = 2.393039975261226 (6.22596e-08% change) large trace change predicted (2.70454e-07%) linmin: converged after 5 iterations. iteration 1238: trace = 2.393039968788895 (2.70465e-07% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.393039966643086 (8.96688e-08% change) large trace change predicted (6.82469e-07%) linmin: converged after 4 iterations. iteration 1240: trace = 2.393039950311222 (6.82474e-07% change) linmin: converged after 4 iterations. iteration 1241: trace = 2.393039942981007 (3.06314e-07% change) large trace change predicted (8.43343e-07%) linmin: converged after 4 iterations. iteration 1242: trace = 2.393039922799383 (8.43347e-07% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.393039911824787 (4.58605e-07% change) large trace change predicted (1.08841e-06%) linmin: converged after 4 iterations. iteration 1244: trace = 2.393039885778793 (1.08841e-06% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.393039876902687 (3.70913e-07% change) large trace change predicted (9.01482e-07%) linmin: converged after 4 iterations. iteration 1246: trace = 2.393039855329786 (9.01485e-07% change) linmin: converged after 4 iterations. iteration 1247: trace = 2.39303984897302 (2.65636e-07% change) large trace change predicted (6.66678e-07%) linmin: converged after 4 iterations. iteration 1248: trace = 2.393039833019012 (6.66684e-07% change) linmin: converged after 7 iterations. iteration 1249: trace = 2.393039826134066 (2.87707e-07% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393039818156414 (3.33369e-07% change) linmin: converged after 4 iterations. iteration 1251: trace = 2.393039808448481 (4.05674e-07% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.39303980293101 (2.30563e-07% change) large trace change predicted (5.45503e-07%) linmin: converged after 5 iterations. iteration 1253: trace = 2.39303978987675 (5.4551e-07% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.393039786684267 (1.33407e-07% change) large trace change predicted (3.70994e-07%) linmin: converged after 4 iterations. iteration 1255: trace = 2.393039777806365 (3.70989e-07% change) linmin: converged after 5 iterations. iteration 1256: trace = 2.39303977054289 (3.03525e-07% change) linmin: converged after 4 iterations. iteration 1257: trace = 2.393039767440797 (1.2963e-07% change) large trace change predicted (2.84217e-07%) linmin: converged after 4 iterations. iteration 1258: trace = 2.393039760638817 (2.8424e-07% change) linmin: converged after 4 iterations. iteration 1259: trace = 2.393039754784654 (2.44633e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1260: trace = 2.393039752375323 (1.00681e-07% change) large trace change predicted (2.25973e-07%) linmin: converged after 4 iterations. iteration 1261: trace = 2.39303974696775 (2.25971e-07% change) linmin: converged after 5 iterations. iteration 1262: trace = 2.393039744846734 (8.86327e-08% change) large trace change predicted (2.21047e-07%) linmin: converged after 5 iterations. iteration 1263: trace = 2.393039739557065 (2.21044e-07% change) linmin: converged after 3 iterations. iteration 1264: trace = 2.39303973230659 (3.02982e-07% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.393039729741472 (1.07191e-07% change) large trace change predicted (4.25155e-07%) linmin: converged after 4 iterations. iteration 1266: trace = 2.393039719567329 (4.25156e-07% change) linmin: converged after 8 iterations. iteration 1267: trace = 2.393039715781654 (1.58195e-07% change) large trace change predicted (3.27773e-07%) linmin: converged after 4 iterations. iteration 1268: trace = 2.393039707937989 (3.2777e-07% change) linmin: converged after 5 iterations. iteration 1269: trace = 2.393039701936405 (2.50793e-07% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.39303969747865 (1.8628e-07% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.393039689500306 (3.33398e-07% change) linmin: converged after 3 iterations. iteration 1272: trace = 2.393039686608128 (1.20858e-07% change) large trace change predicted (4.68806e-07%) linmin: converged after 4 iterations. iteration 1273: trace = 2.393039675389461 (4.68804e-07% change) linmin: converged after 4 iterations. iteration 1274: trace = 2.393039672147145 (1.35489e-07% change) large trace change predicted (5.2048e-07%) linmin: converged after 3 iterations. iteration 1275: trace = 2.393039659692248 (5.20463e-07% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.393039655668642 (1.68138e-07% change) large trace change predicted (4.96225e-07%) linmin: converged after 4 iterations. iteration 1277: trace = 2.393039643793636 (4.96231e-07% change) linmin: converged after 4 iterations. iteration 1278: trace = 2.393039640812129 (1.24591e-07% change) linmin: converged after 4 iterations. iteration 1279: trace = 2.393039635166097 (2.35936e-07% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.393039633266846 (7.93656e-08% change) large trace change predicted (1.77794e-07%) linmin: converged after 4 iterations. iteration 1281: trace = 2.393039629011469 (1.77823e-07% change) linmin: converged after 11 iterations. iteration 1282: trace = 2.393039628048165 (4.02545e-08% change) large trace change predicted (1.23305e-07%) linmin: converged after 4 iterations. iteration 1283: trace = 2.393039625097813 (1.23289e-07% change) linmin: converged after 7 iterations. iteration 1284: trace = 2.393039624379343 (3.00233e-08% change) large trace change predicted (6.48637e-08%) linmin: converged after 4 iterations. iteration 1285: trace = 2.393039622826998 (6.48692e-08% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.393039622081533 (3.11514e-08% change) large trace change predicted (6.51941e-08%) linmin: converged after 5 iterations. iteration 1287: trace = 2.393039620521539 (6.51888e-08% change) linmin: converged after 5 iterations. iteration 1288: trace = 2.393039619829999 (2.8898e-08% change) large trace change predicted (1.29793e-07%) linmin: converged after 4 iterations. iteration 1289: trace = 2.393039616723824 (1.298e-07% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.393039615709322 (4.23939e-08% change) large trace change predicted (1.51154e-07%) linmin: converged after 4 iterations. iteration 1291: trace = 2.393039612092267 (1.51149e-07% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393039609884058 (9.22763e-08% change) linmin: converged after 5 iterations. iteration 1293: trace = 2.393039606737067 (1.31506e-07% change) linmin: converged after 3 iterations. iteration 1294: trace = 2.393039602684107 (1.69364e-07% change) linmin: converged after 15 iterations. iteration 1295: trace = 2.39303960117655 (6.29976e-08% change) large trace change predicted (2.12318e-07%) linmin: converged after 4 iterations. iteration 1296: trace = 2.393039596095206 (2.12338e-07% change) linmin: converged after 4 iterations. iteration 1297: trace = 2.393039593028657 (1.28145e-07% change) linmin: converged after 4 iterations. iteration 1298: trace = 2.393039589866047 (1.32159e-07% change) large trace change predicted (2.68235e-07%) linmin: converged after 4 iterations. iteration 1299: trace = 2.393039583446438 (2.68262e-07% change) linmin: converged after 3 iterations. iteration 1300: trace = 2.393039581521527 (8.04379e-08% change) linmin: converged after 3 iterations. iteration 1301: trace = 2.393039578801957 (1.13645e-07% change) linmin: converged after 9 iterations. iteration 1302: trace = 2.393039576669027 (8.91306e-08% change) linmin: converged after 5 iterations. iteration 1303: trace = 2.393039576153072 (2.15607e-08% change) large trace change predicted (4.37752e-08%) linmin: converged after 2 iterations. iteration 1304: trace = 2.393039575105175 (4.37894e-08% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.393039574740581 (1.52356e-08% change) large trace change predicted (3.0863e-08%) linmin: converged after 18 iterations. iteration 1306: trace = 2.393039574002064 (3.0861e-08% change) linmin: converged after 3 iterations. iteration 1307: trace = 2.393039573189971 (3.39356e-08% change) linmin: converged after 4 iterations. iteration 1308: trace = 2.393039572730342 (1.92069e-08% change) large trace change predicted (9.18449e-08%) linmin: converged after 4 iterations. iteration 1309: trace = 2.39303957053241 (9.18469e-08% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.393039568845877 (7.04766e-08% change) linmin: converged after 4 iterations. iteration 1311: trace = 2.393039566281184 (1.07173e-07% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.393039563652492 (1.09847e-07% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393039562258748 (5.82416e-08% change) linmin: converged after 5 iterations. iteration 1314: trace = 2.393039559935018 (9.71037e-08% change) linmin: converged after 6 iterations. iteration 1315: trace = 2.393039558738345 (5.00064e-08% change) linmin: converged after 5 iterations. iteration 1316: trace = 2.393039558001316 (3.07989e-08% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393039557188168 (3.39797e-08% change) linmin: converged after 11 iterations. iteration 1318: trace = 2.393039556882685 (1.27655e-08% change) large trace change predicted (2.60046e-08%) linmin: converged after 12 iterations. iteration 1319: trace = 2.393039556260136 (2.6015e-08% change) linmin: converged after 4 iterations. iteration 1320: trace = 2.393039555706973 (2.31155e-08% change) linmin: converged after 11 iterations. iteration 1321: trace = 2.393039555521116 (7.76659e-09% change) large trace change predicted (1.85546e-08%) linmin: converged after 15 iterations. iteration 1322: trace = 2.393039555077707 (1.85291e-08% change) linmin: converged after 3 iterations. iteration 1323: trace = 2.393039554841121 (9.88644e-09% change) linmin: converged after 5 iterations. iteration 1324: trace = 2.393039554417847 (1.76877e-08% change) linmin: converged after 5 iterations. iteration 1325: trace = 2.39303955412174 (1.23737e-08% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393039553971529 (6.27696e-09% change) large trace change predicted (1.53068e-08%) linmin: converged after 10 iterations. iteration 1327: trace = 2.393039553605591 (1.52918e-08% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.393039553259939 (1.4444e-08% change) linmin: converged after 3 iterations. iteration 1329: trace = 2.393039552823735 (1.8228e-08% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1330: trace = 2.393039552468187 (1.48576e-08% change) linmin: converged after 12 iterations. iteration 1331: trace = 2.393039552305793 (6.78612e-09% change) large trace change predicted (1.55607e-08%) linmin: converged after 10 iterations. iteration 1332: trace = 2.393039551933087 (1.55746e-08% change) linmin: converged after 11 iterations. iteration 1333: trace = 2.393039551712743 (9.20769e-09% change) linmin: converged after 4 iterations. iteration 1334: trace = 2.393039551419782 (1.22422e-08% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.393039550999821 (1.75493e-08% change) linmin: converged after 8 iterations. iteration 1336: trace = 2.393039550873475 (5.27973e-09% change) large trace change predicted (1.79192e-08%) linmin: converged after 9 iterations. iteration 1337: trace = 2.393039550444947 (1.79073e-08% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.39303955025464 (7.9525e-09% change) large trace change predicted (1.67556e-08%) linmin: converged after 7 iterations. iteration 1339: trace = 2.39303954985344 (1.67653e-08% change) linmin: converged after 4 iterations. iteration 1340: trace = 2.393039549372851 (2.00828e-08% change) linmin: converged after 12 iterations. iteration 1341: trace = 2.393039549084086 (1.20669e-08% change) large trace change predicted (3.02006e-08%) linmin: converged after 4 iterations. iteration 1342: trace = 2.393039548361507 (3.0195e-08% change) linmin: converged after 15 iterations. iteration 1343: trace = 2.393039547896736 (1.94218e-08% change) linmin: converged after 14 iterations. iteration 1344: trace = 2.3930395470311 (3.61731e-08% change) linmin: converged after 13 iterations. iteration 1345: trace = 2.393039545585768 (6.03973e-08% change) linmin: converged after 5 iterations. iteration 1346: trace = 2.393039544811512 (3.23545e-08% change) large trace change predicted (8.64304e-08%) linmin: converged after 4 iterations. iteration 1347: trace = 2.393039542743578 (8.64146e-08% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.393039540923545 (7.60553e-08% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.393039539486599 (6.00469e-08% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.393039537866596 (6.76965e-08% change) linmin: converged after 3 iterations. iteration 1351: trace = 2.393039537456342 (1.71437e-08% change) large trace change predicted (3.98654e-08%) linmin: converged after 18 iterations. iteration 1352: trace = 2.393039536502095 (3.98759e-08% change) linmin: converged after 3 iterations. iteration 1353: trace = 2.39303953621225 (1.2112e-08% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.39303953575171 (1.9245e-08% change) linmin: converged after 13 iterations. iteration 1355: trace = 2.393039535303055 (1.87483e-08% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.3930395349021 (1.6755e-08% change) large trace change predicted (4.64514e-08%) linmin: converged after 5 iterations. iteration 1357: trace = 2.393039533790384 (4.64563e-08% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.393039533353988 (1.82361e-08% change) large trace change predicted (8.56124e-08%) linmin: converged after 4 iterations. iteration 1359: trace = 2.393039531305269 (8.56115e-08% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.39303953010729 (5.0061e-08% change) linmin: converged after 5 iterations. iteration 1361: trace = 2.393039528467126 (6.8539e-08% change) linmin: converged after 4 iterations. iteration 1362: trace = 2.393039526321269 (8.96707e-08% change) linmin: converged after 4 iterations. iteration 1363: trace = 2.393039525186161 (4.74337e-08% change) large trace change predicted (1.14187e-07%) linmin: converged after 2 iterations. iteration 1364: trace = 2.393039522453136 (1.14207e-07% change) linmin: converged after 4 iterations. iteration 1365: trace = 2.393039521628366 (3.44654e-08% change) large trace change predicted (1.36806e-07%) linmin: converged after 4 iterations. iteration 1366: trace = 2.393039518354311 (1.36816e-07% change) linmin: converged after 6 iterations. iteration 1367: trace = 2.393039516902086 (6.06854e-08% change) linmin: converged after 5 iterations. iteration 1368: trace = 2.393039514684189 (9.26812e-08% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.393039513343765 (5.60135e-08% change) linmin: converged after 7 iterations. iteration 1370: trace = 2.393039512554545 (3.29798e-08% change) linmin: converged after 11 iterations. iteration 1371: trace = 2.393039511137187 (5.92284e-08% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.393039510828196 (1.29121e-08% change) large trace change predicted (3.8937e-08%) linmin: converged after 8 iterations. iteration 1373: trace = 2.393039509896635 (3.89279e-08% change) linmin: converged after 5 iterations. iteration 1374: trace = 2.393039509556663 (1.42067e-08% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393039509104505 (1.88947e-08% change) linmin: converged after 9 iterations. iteration 1376: trace = 2.393039508475824 (2.62712e-08% change) linmin: converged after 11 iterations. iteration 1377: trace = 2.39303950813147 (1.43898e-08% change) large trace change predicted (7.44937e-08%) linmin: converged after 4 iterations. iteration 1378: trace = 2.39303950634919 (7.44777e-08% change) linmin: converged after 3 iterations. iteration 1379: trace = 2.393039505617999 (3.05549e-08% change) large trace change predicted (8.91559e-08%) linmin: converged after 4 iterations. iteration 1380: trace = 2.393039503484472 (8.91555e-08% change) linmin: converged after 3 iterations. iteration 1381: trace = 2.393039501221287 (9.45737e-08% change) linmin: converged after 5 iterations. iteration 1382: trace = 2.393039498838549 (9.95695e-08% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.393039495191971 (1.52383e-07% change) linmin: converged after 3 iterations. iteration 1384: trace = 2.393039493392966 (7.51766e-08% change) linmin: converged after 9 iterations. iteration 1385: trace = 2.393039490508287 (1.20545e-07% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393039489509659 (4.17305e-08% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393039488176182 (5.57231e-08% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.393039486866897 (5.47122e-08% change) linmin: converged after 4 iterations. iteration 1389: trace = 2.393039486048337 (3.42059e-08% change) large trace change predicted (6.93083e-08%) linmin: converged after 6 iterations. iteration 1390: trace = 2.393039484389734 (6.93095e-08% change) linmin: converged after 3 iterations. iteration 1391: trace = 2.393039483771787 (2.58227e-08% change) large trace change predicted (5.55695e-08%) linmin: converged after 8 iterations. iteration 1392: trace = 2.393039482441627 (5.55846e-08% change) linmin: converged after 4 iterations. iteration 1393: trace = 2.393039481262258 (4.92833e-08% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.393039480514632 (3.12417e-08% change) linmin: converged after 3 iterations. iteration 1395: trace = 2.393039479394192 (4.68208e-08% change) linmin: converged after 5 iterations. iteration 1396: trace = 2.393039479129497 (1.10611e-08% change) large trace change predicted (4.59719e-08%) linmin: converged after 4 iterations. iteration 1397: trace = 2.393039478029187 (4.59796e-08% change) linmin: converged after 5 iterations. iteration 1398: trace = 2.393039476819697 (5.0542e-08% change) linmin: converged after 4 iterations. iteration 1399: trace = 2.393039474797051 (8.4522e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393039473495011 (5.44095e-08% change) linmin: converged after 15 iterations. iteration 1401: trace = 2.393039472522661 (4.06324e-08% change) linmin: converged after 8 iterations. iteration 1402: trace = 2.393039471410346 (4.64813e-08% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.393039471056905 (1.47695e-08% change) large trace change predicted (3.28924e-08%) linmin: converged after 11 iterations. iteration 1404: trace = 2.393039470269966 (3.28845e-08% change) linmin: converged after 4 iterations. iteration 1405: trace = 2.39303946928547 (4.114e-08% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.393039468949135 (1.40547e-08% change) large trace change predicted (3.91732e-08%) linmin: converged after 9 iterations. iteration 1407: trace = 2.393039468012085 (3.91573e-08% change) linmin: converged after 5 iterations. iteration 1408: trace = 2.393039467288151 (3.02517e-08% change) linmin: converged after 4 iterations. iteration 1409: trace = 2.393039466683593 (2.52632e-08% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.393039465609101 (4.49007e-08% change) linmin: converged after 21 iterations. iteration 1411: trace = 2.393039464844172 (3.19647e-08% change) linmin: converged after 6 iterations. iteration 1412: trace = 2.39303946428194 (2.34945e-08% change) linmin: converged after 4 iterations. iteration 1413: trace = 2.393039463295255 (4.12315e-08% change) linmin: converged after 4 iterations. iteration 1414: trace = 2.393039462815016 (2.00681e-08% change) large trace change predicted (5.93116e-08%) linmin: converged after 20 iterations. iteration 1415: trace = 2.393039461396101 (5.92934e-08% change) linmin: converged after 8 iterations. iteration 1416: trace = 2.393039460032142 (5.69969e-08% change) linmin: converged after 8 iterations. iteration 1417: trace = 2.393039459447815 (2.44178e-08% change) large trace change predicted (7.26386e-08%) linmin: converged after 4 iterations. iteration 1418: trace = 2.393039457709932 (7.26224e-08% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.393039457419977 (1.21166e-08% change) large trace change predicted (2.94969e-08%) linmin: converged after 3 iterations. iteration 1420: trace = 2.393039456713812 (2.95092e-08% change) linmin: converged after 6 iterations. iteration 1421: trace = 2.393039456355463 (1.49746e-08% change) linmin: converged after 9 iterations. iteration 1422: trace = 2.393039456180883 (7.29532e-09% change) linmin: converged after 3 iterations. iteration 1423: trace = 2.393039455886893 (1.22852e-08% change) linmin: converged after 4 iterations. iteration 1424: trace = 2.39303945576428 (5.1237e-09% change) large trace change predicted (1.05692e-08%) linmin: converged after 4 iterations. iteration 1425: trace = 2.393039455511132 (1.05785e-08% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.39303945533735 (7.26197e-09% change) linmin: converged after 12 iterations. iteration 1427: trace = 2.393039455223858 (4.74258e-09% change) large trace change predicted (1.4416e-08%) linmin: converged after 3 iterations. iteration 1428: trace = 2.393039454878662 (1.4425e-08% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.393039454618309 (1.08796e-08% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.393039454112428 (2.11397e-08% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.393039453329068 (3.27349e-08% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.393039453104739 (9.37423e-09% change) large trace change predicted (3.21758e-08%) linmin: converged after 3 iterations. iteration 1433: trace = 2.393039452334816 (3.21734e-08% change) linmin: converged after 8 iterations. iteration 1434: trace = 2.39303945191534 (1.7529e-08% change) linmin: converged after 21 iterations. iteration 1435: trace = 2.39303945151571 (1.66997e-08% change) linmin: converged after 3 iterations. iteration 1436: trace = 2.393039451063542 (1.88952e-08% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.393039450879161 (7.70487e-09% change) large trace change predicted (2.069e-08%) linmin: converged after 4 iterations. iteration 1438: trace = 2.393039450384139 (2.06859e-08% change) linmin: converged after 4 iterations. iteration 1439: trace = 2.393039450075801 (1.28848e-08% change) linmin: converged after 9 iterations. iteration 1440: trace = 2.393039449952628 (5.14714e-09% change) linmin: converged after 9 iterations. iteration 1441: trace = 2.393039449735939 (9.05498e-09% change) linmin: converged after 12 iterations. iteration 1442: trace = 2.393039449686617 (2.06104e-09% change) linmin: converged after 4 iterations. iteration 1443: trace = 2.393039449596033 (3.78533e-09% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393039449492395 (4.33079e-09% change) linmin: converged after 5 iterations. iteration 1445: trace = 2.393039449452396 (1.6715e-09% change) large trace change predicted (6.28917e-09%) linmin: converged after 3 iterations. iteration 1446: trace = 2.393039449301827 (6.29193e-09% change) linmin: converged after 4 iterations. iteration 1447: trace = 2.393039449253426 (2.02257e-09% change) large trace change predicted (1.22701e-08%) linmin: converged after 3 iterations. iteration 1448: trace = 2.39303944895976 (1.22717e-08% change) linmin: converged after 3 iterations. iteration 1449: trace = 2.393039448653826 (1.27843e-08% change) linmin: converged after 13 iterations. iteration 1450: trace = 2.393039448480333 (7.24991e-09% change) large trace change predicted (1.53467e-08%) linmin: converged after 5 iterations. iteration 1451: trace = 2.393039448113199 (1.53417e-08% change) linmin: converged after 5 iterations. iteration 1452: trace = 2.393039447965328 (6.1792e-09% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.393039447783792 (7.58601e-09% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393039447648337 (5.66036e-09% change) linmin: converged after 6 iterations. iteration 1455: trace = 2.393039447599438 (2.04341e-09% change) large trace change predicted (5.64852e-09%) linmin: converged after 5 iterations. iteration 1456: trace = 2.393039447464218 (5.65053e-09% change) linmin: converged after 4 iterations. iteration 1457: trace = 2.393039447420271 (1.83649e-09% change) linmin: converged after 3 iterations. iteration 1458: trace = 2.393039447381037 (1.63948e-09% change) linmin: converged after 3 iterations. iteration 1459: trace = 2.393039447307936 (3.05472e-09% change) linmin: converged after 7 iterations. iteration 1460: trace = 2.393039447289321 (7.77913e-10% change) large trace change predicted (2.98455e-09%) linmin: converged after 4 iterations. iteration 1461: trace = 2.393039447217723 (2.9919e-09% change) linmin: converged after 3 iterations. iteration 1462: trace = 2.393039447194708 (9.61744e-10% change) large trace change predicted (2.04372e-09%) linmin: converged after 7 iterations. iteration 1463: trace = 2.393039447145548 (2.05432e-09% change) linmin: converged after 3 iterations. iteration 1464: trace = 2.39303944709559 (2.08761e-09% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.393039447077964 (7.36567e-10% change) large trace change predicted (1.92828e-09%) linmin: converged after 4 iterations. iteration 1466: trace = 2.393039447031805 (1.92889e-09% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393039446996109 (1.49165e-09% change) large trace change predicted (5.54519e-09%) linmin: converged after 5 iterations. iteration 1468: trace = 2.393039446863253 (5.55175e-09% change) linmin: converged after 4 iterations. iteration 1469: trace = 2.393039446658 (8.57711e-09% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1470: trace = 2.393039446554929 (4.30713e-09% change) linmin: converged after 5 iterations. iteration 1471: trace = 2.393039446406496 (6.20269e-09% change) linmin: converged after 4 iterations. iteration 1472: trace = 2.393039446329557 (3.21509e-09% change) linmin: converged after 7 iterations. iteration 1473: trace = 2.393039446299488 (1.25651e-09% change) linmin: converged after 3 iterations. iteration 1474: trace = 2.393039446253042 (1.94088e-09% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393039446237972 (6.29769e-10% change) large trace change predicted (2.26716e-09%) linmin: converged after 6 iterations. iteration 1476: trace = 2.393039446183866 (2.26098e-09% change) linmin: converged after 3 iterations. iteration 1477: trace = 2.393039446159668 (1.01116e-09% change) linmin: converged after 3 iterations. iteration 1478: trace = 2.393039446124897 (1.45302e-09% change) linmin: converged after 3 iterations. iteration 1479: trace = 2.393039446076483 (2.02311e-09% change) linmin: converged after 4 iterations. iteration 1480: trace = 2.393039446062295 (5.92895e-10% change) large trace change predicted (3.06187e-09%) linmin: converged after 3 iterations. iteration 1481: trace = 2.393039445988651 (3.07743e-09% change) linmin: converged after 5 iterations. iteration 1482: trace = 2.393039445967875 (8.68196e-10% change) large trace change predicted (3.52035e-09%) linmin: converged after 4 iterations. iteration 1483: trace = 2.393039445884046 (3.50301e-09% change) linmin: converged after 3 iterations. iteration 1484: trace = 2.393039445811926 (3.01374e-09% change) linmin: converged after 3 iterations. iteration 1485: trace = 2.393039445766652 (1.89189e-09% change) large trace change predicted (5.66515e-09%) linmin: converged after 4 iterations. iteration 1486: trace = 2.393039445631087 (5.66499e-09% change) linmin: converged after 6 iterations. iteration 1487: trace = 2.393039445511708 (4.98858e-09% change) linmin: converged after 3 iterations. iteration 1488: trace = 2.393039445397577 (4.76931e-09% change) large trace change predicted (1.34795e-08%) linmin: converged after 4 iterations. iteration 1489: trace = 2.393039445075018 (1.34791e-08% change) linmin: converged after 4 iterations. iteration 1490: trace = 2.393039444959826 (4.8136e-09% change) large trace change predicted (1.18913e-08%) linmin: converged after 4 iterations. iteration 1491: trace = 2.3930394446754 (1.18856e-08% change) linmin: converged after 15 iterations. iteration 1492: trace = 2.393039444509644 (6.9266e-09% change) linmin: converged after 3 iterations. iteration 1493: trace = 2.393039444460534 (2.05219e-09% change) large trace change predicted (4.61773e-09%) linmin: converged after 4 iterations. iteration 1494: trace = 2.393039444350359 (4.604e-09% change) linmin: converged after 9 iterations. iteration 1495: trace = 2.39303944429039 (2.50597e-09% change) linmin: converged after 4 iterations. iteration 1496: trace = 2.393039444242234 (2.01234e-09% change) linmin: converged after 3 iterations. iteration 1497: trace = 2.393039444154446 (3.66845e-09% change) linmin: converged after 6 iterations. iteration 1498: trace = 2.393039444100714 (2.24533e-09% change) large trace change predicted (4.766e-09%) linmin: converged after 4 iterations. iteration 1499: trace = 2.393039443986571 (4.76983e-09% change) linmin: converged after 9 iterations. iteration 1500: trace = 2.393039443801226 (7.74514e-09% change) linmin: converged after 4 iterations. iteration 1501: trace = 2.393039443719428 (3.41817e-09% change) large trace change predicted (1.44003e-08%) linmin: converged after 15 iterations. iteration 1502: trace = 2.393039443374897 (1.43972e-08% change) linmin: converged after 12 iterations. iteration 1503: trace = 2.393039443268392 (4.45062e-09% change) large trace change predicted (1.39248e-08%) linmin: converged after 4 iterations. iteration 1504: trace = 2.393039442935091 (1.39279e-08% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393039442651068 (1.18687e-08% change) linmin: converged after 14 iterations. iteration 1506: trace = 2.393039442520545 (5.45425e-09% change) large trace change predicted (1.32573e-08%) linmin: converged after 5 iterations. iteration 1507: trace = 2.393039442203573 (1.32456e-08% change) linmin: converged after 12 iterations. iteration 1508: trace = 2.3930394420433 (6.69745e-09% change) linmin: converged after 7 iterations. iteration 1509: trace = 2.393039441778325 (1.10727e-08% change) linmin: converged after 15 iterations. iteration 1510: trace = 2.393039441547803 (9.63301e-09% change) linmin: converged after 12 iterations. iteration 1511: trace = 2.393039441446908 (4.21618e-09% change) linmin: converged after 3 iterations. iteration 1512: trace = 2.393039441308791 (5.77162e-09% change) linmin: converged after 3 iterations. iteration 1513: trace = 2.393039441232291 (3.1968e-09% change) linmin: converged after 6 iterations. iteration 1514: trace = 2.393039441190583 (1.74287e-09% change) large trace change predicted (4.23724e-09%) linmin: converged after 3 iterations. iteration 1515: trace = 2.393039441089391 (4.22861e-09% change) linmin: converged after 12 iterations. iteration 1516: trace = 2.393039441053357 (1.50578e-09% change) large trace change predicted (4.96839e-09%) linmin: converged after 4 iterations. iteration 1517: trace = 2.393039440934638 (4.96101e-09% change) linmin: converged after 5 iterations. iteration 1518: trace = 2.393039440868463 (2.76531e-09% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393039440757879 (4.62107e-09% change) large trace change predicted (1.02346e-08%) linmin: converged after 3 iterations. iteration 1520: trace = 2.393039440512798 (1.02414e-08% change) linmin: converged after 8 iterations. iteration 1521: trace = 2.393039440412819 (4.17791e-09% change) large trace change predicted (2.33122e-08%) linmin: converged after 4 iterations. iteration 1522: trace = 2.393039439854995 (2.33103e-08% change) linmin: converged after 4 iterations. iteration 1523: trace = 2.393039439694437 (6.70937e-09% change) large trace change predicted (1.94194e-08%) linmin: converged after 6 iterations. iteration 1524: trace = 2.393039439229807 (1.94159e-08% change) linmin: converged after 3 iterations. iteration 1525: trace = 2.393039438960336 (1.12606e-08% change) linmin: converged after 4 iterations. iteration 1526: trace = 2.393039438808737 (6.33499e-09% change) linmin: converged after 3 iterations. iteration 1527: trace = 2.393039438561468 (1.03328e-08% change) linmin: converged after 8 iterations. iteration 1528: trace = 2.393039438487197 (3.10364e-09% change) large trace change predicted (8.26929e-09%) linmin: converged after 5 iterations. iteration 1529: trace = 2.393039438289437 (8.26399e-09% change) linmin: converged after 3 iterations. iteration 1530: trace = 2.393039438106132 (7.6599e-09% change) linmin: converged after 5 iterations. iteration 1531: trace = 2.3930394380209 (3.56166e-09% change) large trace change predicted (7.33676e-09%) linmin: converged after 5 iterations. iteration 1532: trace = 2.393039437845328 (7.3368e-09% change) linmin: converged after 15 iterations. iteration 1533: trace = 2.393039437766397 (3.29834e-09% change) linmin: converged after 3 iterations. iteration 1534: trace = 2.393039437624336 (5.93643e-09% change) linmin: converged after 8 iterations. iteration 1535: trace = 2.393039437477171 (6.14973e-09% change) linmin: converged after 4 iterations. iteration 1536: trace = 2.393039437421409 (2.33016e-09% change) large trace change predicted (6.0991e-09%) linmin: converged after 9 iterations. iteration 1537: trace = 2.393039437275192 (6.11013e-09% change) linmin: converged after 6 iterations. iteration 1538: trace = 2.393039437236976 (1.59693e-09% change) large trace change predicted (6.83199e-09%) linmin: converged after 3 iterations. iteration 1539: trace = 2.393039437073432 (6.83418e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1540: trace = 2.393039436987847 (3.57639e-09% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393039436944102 (1.82803e-09% change) large trace change predicted (6.21927e-09%) linmin: converged after 7 iterations. iteration 1542: trace = 2.393039436795552 (6.20757e-09% change) linmin: converged after 9 iterations. iteration 1543: trace = 2.393039436760487 (1.4653e-09% change) large trace change predicted (5.99446e-09%) linmin: converged after 4 iterations. iteration 1544: trace = 2.393039436616815 (6.00375e-09% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393039436538321 (3.2801e-09% change) linmin: converged after 4 iterations. iteration 1546: trace = 2.39303943643346 (4.3819e-09% change) linmin: converged after 3 iterations. iteration 1547: trace = 2.393039436301948 (5.49559e-09% change) linmin: converged after 3 iterations. iteration 1548: trace = 2.3930394362577 (1.84905e-09% change) large trace change predicted (4.93762e-09%) linmin: converged after 4 iterations. iteration 1549: trace = 2.393039436139235 (4.95039e-09% change) linmin: converged after 4 iterations. iteration 1550: trace = 2.393039436025486 (4.75333e-09% change) linmin: converged after 6 iterations. iteration 1551: trace = 2.39303943593413 (3.81758e-09% change) linmin: converged after 5 iterations. iteration 1552: trace = 2.39303943580041 (5.58784e-09% change) linmin: converged after 4 iterations. iteration 1553: trace = 2.393039435737268 (2.6386e-09% change) large trace change predicted (7.34154e-09%) linmin: converged after 4 iterations. iteration 1554: trace = 2.393039435561371 (7.35033e-09% change) linmin: converged after 12 iterations. iteration 1555: trace = 2.393039435392983 (7.03657e-09% change) linmin: converged after 5 iterations. iteration 1556: trace = 2.393039435291343 (4.24732e-09% change) large trace change predicted (1.03582e-08%) linmin: converged after 11 iterations. iteration 1557: trace = 2.393039435043288 (1.03657e-08% change) linmin: converged after 7 iterations. iteration 1558: trace = 2.393039435003007 (1.68326e-09% change) large trace change predicted (4.97119e-09%) linmin: converged after 9 iterations. iteration 1559: trace = 2.393039434883715 (4.98494e-09% change) linmin: converged after 6 iterations. iteration 1560: trace = 2.393039434848355 (1.47761e-09% change) linmin: converged after 5 iterations. iteration 1561: trace = 2.393039434816365 (1.33683e-09% change) linmin: converged after 3 iterations. iteration 1562: trace = 2.393039434778016 (1.60252e-09% change) linmin: converged after 3 iterations. iteration 1563: trace = 2.393039434765062 (5.41305e-10% change) large trace change predicted (1.59784e-09%) linmin: converged after 3 iterations. iteration 1564: trace = 2.393039434726583 (1.60797e-09% change) linmin: converged after 3 iterations. iteration 1565: trace = 2.393039434703829 (9.50814e-10% change) linmin: converged after 3 iterations. iteration 1566: trace = 2.393039434683319 (8.57061e-10% change) large trace change predicted (1.90996e-09%) linmin: converged after 3 iterations. iteration 1567: trace = 2.393039434637445 (1.91699e-09% change) linmin: converged after 4 iterations. iteration 1568: trace = 2.393039434613074 (1.01842e-09% change) large trace change predicted (2.68992e-09%) linmin: converged after 3 iterations. iteration 1569: trace = 2.393039434548669 (2.69136e-09% change) linmin: converged after 4 iterations. iteration 1570: trace = 2.393039434461306 (3.65071e-09% change) linmin: converged after 9 iterations. iteration 1571: trace = 2.393039434415617 (1.90922e-09% change) large trace change predicted (3.82952e-09%) linmin: converged after 6 iterations. iteration 1572: trace = 2.393039434324123 (3.82335e-09% change) linmin: converged after 7 iterations. iteration 1573: trace = 2.393039434295982 (1.17595e-09% change) large trace change predicted (4.16023e-09%) linmin: converged after 9 iterations. iteration 1574: trace = 2.39303943419656 (4.15464e-09% change) linmin: converged after 4 iterations. iteration 1575: trace = 2.393039434148631 (2.00282e-09% change) linmin: converged after 5 iterations. iteration 1576: trace = 2.393039434112717 (1.50077e-09% change) linmin: converged after 6 iterations. iteration 1577: trace = 2.393039434048044 (2.70257e-09% change) linmin: converged after 6 iterations. iteration 1578: trace = 2.393039434025631 (9.36562e-10% change) linmin: converged after 12 iterations. iteration 1579: trace = 2.39303943398442 (1.72212e-09% change) linmin: converged after 3 iterations. iteration 1580: trace = 2.393039433954179 (1.26373e-09% change) linmin: converged after 5 iterations. iteration 1581: trace = 2.393039433945058 (3.81135e-10% change) linmin: converged after 3 iterations. iteration 1582: trace = 2.393039433929386 (6.54914e-10% change) linmin: converged after 4 iterations. iteration 1583: trace = 2.39303943392341 (2.4971e-10% change) linmin: converged after 3 iterations. iteration 1584: trace = 2.393039433913441 (4.1658e-10% change) linmin: converged after 4 iterations. iteration 1585: trace = 2.393039433897155 (6.80542e-10% change) linmin: converged after 3 iterations. iteration 1586: trace = 2.393039433887945 (3.84865e-10% change) large trace change predicted (1.7305e-09%) linmin: converged after 5 iterations. iteration 1587: trace = 2.393039433846699 (1.72359e-09% change) linmin: converged after 6 iterations. iteration 1588: trace = 2.39303943383376 (5.40711e-10% change) large trace change predicted (1.97226e-09%) linmin: converged after 3 iterations. iteration 1589: trace = 2.393039433786591 (1.97107e-09% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.393039433749585 (1.5464e-09% change) linmin: converged after 3 iterations. iteration 1591: trace = 2.393039433722328 (1.13904e-09% change) linmin: converged after 6 iterations. iteration 1592: trace = 2.39303943369058 (1.32666e-09% change) linmin: converged after 6 iterations. iteration 1593: trace = 2.393039433681902 (3.62633e-10% change) large trace change predicted (1.0596e-09%) linmin: converged after 4 iterations. iteration 1594: trace = 2.393039433655829 (1.08953e-09% change) linmin: converged after 3 iterations. iteration 1595: trace = 2.393039433650241 (2.3351e-10% change) large trace change predicted (5.38794e-10%) linmin: converged after 3 iterations. iteration 1596: trace = 2.393039433636935 (5.5604e-10% change) linmin: converged after 4 iterations. iteration 1597: trace = 2.393039433630824 (2.5537e-10% change) linmin: converged after 4 iterations. iteration 1598: trace = 2.39303943362377 (2.94768e-10% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393039433616618 (2.98888e-10% change) linmin: converged after 4 iterations. iteration 1600: trace = 2.393039433614877 (7.2727e-11% change) Finished solving for bands 2 to 10 after 1600 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: 15.16594386100769 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.47260651857955 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425822915853 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844479535031 (0.432221% change) linmin: converged after 6 iterations. iteration 4: trace = 2.431161923902223 (0.479382% change) linmin: converged after 5 iterations. iteration 5: trace = 2.426060328139433 (0.210062% change) linmin: converged after 14 iterations. iteration 6: trace = 2.423173557046448 (0.119061% change) linmin: converged after 5 iterations. iteration 7: trace = 2.421005029572198 (0.0895313% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230641655502 (0.0733182% change) linmin: converged after 5 iterations. iteration 9: trace = 2.418880015422787 (0.0144943% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217870669038 (0.0273778% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916665533467 (0.0124564% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553474605208 (0.0150219% change) linmin: converged after 4 iterations. iteration 13: trace = 2.41732444725617 (0.00947397% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053527062115 (0.0112081% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983387682049 (0.0029019% change) large trace change predicted (0.0061074%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834185230207 (0.00617328% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789940222252 (0.00183072% change) large trace change predicted (0.00505462%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666993894486 (0.0050873% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616726233114 (0.00208006% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550582815896 (0.00273706% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470774781823 (0.00330261% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391497047409 (0.00328078% change) linmin: converged after 3 iterations. iteration 23: trace = 2.416340879448386 (0.00209478% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269538962664 (0.00295246% change) linmin: converged after 5 iterations. iteration 25: trace = 2.416223001504571 (0.00192602% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194281564505 (0.00118864% change) large trace change predicted (0.00530475%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065999013966 (0.00530942% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019790242146 (0.00191258% change) large trace change predicted (0.00450113%) linmin: converged after 3 iterations. iteration 29: trace = 2.415911218252751 (0.00449394% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826364809701 (0.00351234% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706067361371 (0.00497968% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628039544571 (0.00323007% change) large trace change predicted (0.010701%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370545330153 (0.0106601% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301763262294 (0.00284772% change) large trace change predicted (0.0088785%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087796807887 (0.00885918% change) linmin: converged after 4 iterations. iteration 36: trace = 2.414996317982498 (0.00378788% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847804091106 (0.00614984% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719202411682 (0.0053256% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561292848569 (0.00653967% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484131640875 (0.00319571% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383104477369 (0.0041843% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348681402328 (0.00142576% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292764299247 (0.00231606% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262862753966 (0.00123853% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243297823797 (0.000810393% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221994114608 (0.000882422% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189365238355 (0.00135154% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175471460894 (0.000575507% change) large trace change predicted (0.00151724%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139155959437 (0.00150427% change) linmin: converged after 3 iterations. iteration 50: trace = 2.41410863809763 (0.00126414% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084461029365 (0.0010015% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414051999115781 (0.0013447% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006560440829 (0.00188228% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987574615518 (0.000786489% change) large trace change predicted (0.00171875%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946370114867 (0.00170692% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918635613137 (0.00114893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.413893196373927 (0.00105386% change) linmin: converged after 3 iterations. iteration 58: trace = 2.41385925645185 (0.00140603% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820625724351 (0.00160038% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793730822952 (0.00111421% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747570326565 (0.00191238% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717648237935 (0.00123966% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670786295389 (0.0019415% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608482966819 (0.0025813% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550370970698 (0.00240771% change) linmin: converged after 3 iterations. iteration 66: trace = 2.413476879434381 (0.003045% change) linmin: converged after 3 iterations. iteration 67: trace = 2.41339345627553 (0.00345661% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361571098263 (0.00132118% change) linmin: converged after 4 iterations. iteration 69: trace = 2.41330922553627 (0.00216901% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292452032499 (0.000695044% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275743440677 (0.000692359% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247303938815 (0.00117847% change) linmin: converged after 4 iterations. iteration 73: trace = 2.413240967286041 (0.000262578% change) large trace change predicted (0.000686856%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224368907734 (0.000687807% change) linmin: converged after 5 iterations. iteration 75: trace = 2.413219315143403 (0.00020942% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214487697628 (0.000200042% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206838204424 (0.000316984% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202687491251 (0.000172% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195523032245 (0.000296886% change) large trace change predicted (0.000675753%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317913756707 (0.000678997% change) linmin: converged after 4 iterations. iteration 81: trace = 2.41317450024636 (0.000192167% change) large trace change predicted (0.000670756%) linmin: converged after 5 iterations. iteration 82: trace = 2.413158300701112 (0.000671298% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137377347467 (0.000867056% change) linmin: converged after 4 iterations. iteration 84: trace = 2.413132063165238 (0.000220219% change) large trace change predicted (0.00137291%) linmin: converged after 3 iterations. iteration 85: trace = 2.41309860906156 (0.00138634% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088258734876 (0.000428924% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413069996402011 (0.000756806% change) linmin: converged after 3 iterations. iteration 88: trace = 2.413059118583271 (0.000450789% change) linmin: converged after 3 iterations. iteration 89: trace = 2.413054808265144 (0.000178625% change) large trace change predicted (0.000378435%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045665344551 (0.000378895% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029370668019 (0.000675277% change) linmin: converged after 6 iterations. iteration 92: trace = 2.413026319721341 (0.000126436% change) large trace change predicted (0.000680948%) linmin: converged after 3 iterations. iteration 93: trace = 2.413009844496318 (0.000682764% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004941151994 (0.000203205% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000991140279 (0.000163697% change) large trace change predicted (0.000575066%) linmin: converged after 3 iterations. iteration 96: trace = 2.412987093280474 (0.000575959% change) linmin: converged after 3 iterations. iteration 97: trace = 2.412981970635154 (0.000212295% change) linmin: converged after 4 iterations. iteration 98: trace = 2.412974942544638 (0.000291262% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971641182952 (0.000136817% change) linmin: converged after 4 iterations. iteration 100: trace = 2.412969707762108 (8.01262e-05% change) large trace change predicted (0.000185907%) linmin: converged after 5 iterations. iteration 101: trace = 2.412965221593424 (0.000185919% change) linmin: converged after 4 iterations. iteration 102: trace = 2.412957837534685 (0.000306016% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955630693729 (9.1458e-05% change) large trace change predicted (0.000451423%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944788013533 (0.000449354% change) linmin: converged after 5 iterations. iteration 105: trace = 2.412939575972216 (0.000216004% change) large trace change predicted (0.000436644%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929073338494 (0.000435264% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912374044592 (0.000692078% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882746899345 (0.00122787% change) linmin: converged after 4 iterations. iteration 109: trace = 2.41286626479952 (0.00068309% change) large trace change predicted (0.00140386%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832880662167 (0.0013836% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826958028397 (0.000245464% change) linmin: converged after 3 iterations. iteration 112: trace = 2.412818872323459 (0.000335114% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807749796206 (0.000460978% change) linmin: converged after 3 iterations. iteration 114: trace = 2.412803755425966 (0.000165549% change) linmin: converged after 4 iterations. iteration 115: trace = 2.412797323673744 (0.000266568% change) linmin: converged after 4 iterations. iteration 116: trace = 2.412796047733054 (5.28822e-05% change) large trace change predicted (0.000176745%) linmin: converged after 5 iterations. iteration 117: trace = 2.412791782931919 (0.000176758% change) linmin: converged after 5 iterations. iteration 118: trace = 2.412788951463337 (0.000117352% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787806399415 (4.74581e-05% change) large trace change predicted (0.000215467%) linmin: converged after 4 iterations. iteration 120: trace = 2.41278261283794 (0.000215252% change) linmin: converged after 9 iterations. iteration 121: trace = 2.412781611701873 (4.1493e-05% change) large trace change predicted (0.00015982%) linmin: converged after 6 iterations. iteration 122: trace = 2.412777760329913 (0.000159624% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776289647336 (6.09539e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.412774814685346 (6.11313e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773082192063 (7.1805e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 2.412772032463221 (4.35072e-05% change) large trace change predicted (0.000144373%) linmin: converged after 4 iterations. iteration 127: trace = 2.412768549127982 (0.000144371% change) linmin: converged after 4 iterations. iteration 128: trace = 2.4127643436074 (0.000174303% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762693767507 (6.83797e-05% change) large trace change predicted (0.000227004%) linmin: converged after 4 iterations. iteration 130: trace = 2.41275722279552 (0.000226752% change) linmin: converged after 3 iterations. iteration 131: trace = 2.412750364820406 (0.000284238% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744962890654 (0.000223891% change) large trace change predicted (0.00050606%) linmin: converged after 3 iterations. iteration 133: trace = 2.41273273755446 (0.0005067% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730960838907 (7.36392e-05% change) large trace change predicted (0.000324378%) linmin: converged after 3 iterations. iteration 135: trace = 2.41272312552974 (0.000324749% change) linmin: converged after 3 iterations. iteration 136: trace = 2.412721627248062 (6.20992e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.412719155334277 (0.000102453% change) linmin: converged after 3 iterations. iteration 138: trace = 2.412714757741701 (0.000182267% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714239695032 (2.14715e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713788292348 (1.87093e-05% change) large trace change predicted (6.15358e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712303003939 (6.15609e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.412711743999405 (2.31691e-05% change) linmin: converged after 5 iterations. iteration 143: trace = 2.412711427171629 (1.31316e-05% change) large trace change predicted (3.64774e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710546887593 (3.64853e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412709982755525 (2.33817e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709333832587 (2.6896e-05% change) large trace change predicted (5.4984e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.41270800598921 (5.50354e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.412707725574416 (1.16224e-05% change) large trace change predicted (2.45009e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.412707134317384 (2.4506e-05% change) linmin: converged after 4 iterations. iteration 150: trace = 2.412706108190301 (4.25301e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.412705778782334 (1.36531e-05% change) large trace change predicted (4.32796e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704733571986 (4.33211e-05% change) linmin: converged after 5 iterations. iteration 153: trace = 2.412704022736941 (2.94622e-05% change) linmin: converged after 3 iterations. iteration 154: trace = 2.412703563158694 (1.90483e-05% change) large trace change predicted (3.82253e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702640168161 (3.82555e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701326512484 (5.44475e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700864911253 (1.91321e-05% change) large trace change predicted (5.75859e-05%) linmin: converged after 5 iterations. iteration 158: trace = 2.412699473501025 (5.76703e-05% change) linmin: converged after 17 iterations. iteration 159: trace = 2.412698216849852 (5.20849e-05% change) linmin: converged after 5 iterations. iteration 160: trace = 2.412697421814936 (3.29521e-05% change) linmin: converged after 5 iterations. iteration 161: trace = 2.412696292364906 (4.68128e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695368352456 (3.82979e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.412694305288487 (4.40613e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.41269306588997 (5.13699e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.412692870437929 (8.10099e-06% change) linmin: converged after 5 iterations. iteration 166: trace = 2.412692598517531 (1.12704e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692065676081 (2.20849e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691969845338 (3.97194e-06% change) large trace change predicted (1.25436e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691667034379 (1.25508e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.412691517666154 (6.19094e-06% change) linmin: converged after 5 iterations. iteration 171: trace = 2.412691325209605 (7.97684e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691063216518 (1.0859e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.412690850783105 (8.80483e-06% change) large trace change predicted (1.88644e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.412690395583115 (1.88669e-05% change) large trace change predicted (3.80406e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.412689477052326 (3.80708e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.41268925881307 (9.04548e-06% change) large trace change predicted (2.93558e-05%) linmin: converged after 5 iterations. iteration 177: trace = 2.412688550235866 (2.93688e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.412688106250816 (1.84021e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687761055519 (1.43075e-05% change) large trace change predicted (6.13087e-05%) linmin: converged after 4 iterations. iteration 180: trace = 2.412686280800788 (6.1353e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.41268587390504 (1.68648e-05% change) large trace change predicted (4.31982e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684831272 (4.32146e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683963375255 (3.59722e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683631839712 (1.37414e-05% change) large trace change predicted (2.87768e-05%) linmin: converged after 4 iterations. iteration 185: trace = 2.412682936894382 (2.88038e-05% change) linmin: converged after 7 iterations. iteration 186: trace = 2.412682212339229 (3.00311e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412682002424379 (8.70048e-06% change) large trace change predicted (2.73625e-05%) linmin: converged after 6 iterations. iteration 188: trace = 2.412681342233609 (2.73634e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.412681247731948 (3.91687e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681127112658 (4.99939e-06% change) large trace change predicted (1.11395e-05%) linmin: converged after 3 iterations. iteration 191: trace = 2.412680858319154 (1.11409e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680818637001 (1.64473e-06% change) large trace change predicted (1.20171e-05%) linmin: converged after 4 iterations. iteration 193: trace = 2.412680528718368 (1.20165e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680394540086 (5.56138e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680281089836 (4.70225e-06% change) large trace change predicted (1.79789e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.412679847416759 (1.79747e-05% change) linmin: converged after 5 iterations. iteration 197: trace = 2.412679490725866 (1.4784e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679152018638 (1.40386e-05% change) large trace change predicted (6.22197e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677650362989 (6.22402e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.412677371816115 (1.15451e-05% change) large trace change predicted (5.12229e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676135557482 (5.12401e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675265015711 (3.6082e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674861125 (1.67404e-05% change) large trace change predicted (5.07827e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.41267363577796 (5.07879e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673235709494 (1.6582e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.412672623584792 (2.53712e-05% change) linmin: converged after 5 iterations. iteration 207: trace = 2.412672127609739 (2.05571e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671824992425 (1.25428e-05% change) large trace change predicted (3.40403e-05%) linmin: converged after 5 iterations. iteration 209: trace = 2.412671003759542 (3.40383e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670636650047 (1.52159e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.41267052614665 (4.58013e-06% change) large trace change predicted (1.0439e-05%) linmin: converged after 3 iterations. iteration 212: trace = 2.412670274409913 (1.04339e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670057574463 (8.98736e-06% change) linmin: converged after 3 iterations. iteration 214: trace = 2.412669939591803 (4.89013e-06% change) large trace change predicted (1.68581e-05%) linmin: converged after 5 iterations. iteration 215: trace = 2.412669532933298 (1.68551e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.412669435645649 (4.03237e-06% change) large trace change predicted (9.27879e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669211754496 (9.27981e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668917332621 (1.22032e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668814089527 (4.27921e-06% change) large trace change predicted (1.2154e-05%) linmin: converged after 7 iterations. iteration 220: trace = 2.412668520854663 (1.2154e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668210264206 (1.28733e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.412668105292718 (4.35085e-06% change) large trace change predicted (8.94077e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.41266788951734 (8.94343e-06% change) linmin: converged after 4 iterations. iteration 224: trace = 2.412667518024715 (1.53976e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.412667403992886 (4.72638e-06% change) large trace change predicted (1.69632e-05%) linmin: converged after 5 iterations. iteration 226: trace = 2.412666994727708 (1.69632e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666750420371 (1.0126e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666434822493 (1.30809e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666125452089 (1.28228e-05% change) linmin: converged after 4 iterations. iteration 230: trace = 2.412665633904481 (2.03736e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665379595471 (1.05406e-05% change) large trace change predicted (2.47316e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.41266478279682 (2.47361e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.412664685672211 (4.02562e-06% change) large trace change predicted (8.48752e-06%) linmin: converged after 6 iterations. iteration 234: trace = 2.412664480900114 (8.48738e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 2.412664314628904 (6.8916e-06% change) linmin: converged after 8 iterations. iteration 236: trace = 2.41266426036632 (2.24907e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664168485628 (3.80827e-06% change) linmin: converged after 3 iterations. iteration 238: trace = 2.412664024769286 (5.95675e-06% change) linmin: converged after 2 iterations. iteration 239: trace = 2.412664004258137 (8.50145e-07% change) large trace change predicted (4.42917e-06%) linmin: converged after 3 iterations. iteration 240: trace = 2.412663897405135 (4.42884e-06% change) linmin: converged after 3 iterations. iteration 241: trace = 2.412663789476321 (4.47343e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663749871522 (1.64154e-06% change) large trace change predicted (1.10739e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.412663482875842 (1.10664e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663107355919 (1.55645e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.412662976798619 (5.41134e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.41266272252196 (1.05393e-05% change) linmin: converged after 7 iterations. iteration 247: trace = 2.412662447883754 (1.13832e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.412662233038824 (8.90489e-06% change) large trace change predicted (1.93683e-05%) linmin: converged after 4 iterations. iteration 249: trace = 2.412661766145262 (1.93518e-05% change) linmin: converged after 13 iterations. iteration 250: trace = 2.412661572510741 (8.02576e-06% change) large trace change predicted (1.97826e-05%) linmin: converged after 4 iterations. iteration 251: trace = 2.412661095622318 (1.97661e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.412660536049979 (2.31932e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.412660349524384 (7.73112e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660088686461 (1.08112e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.412659728752477 (1.49186e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.412659684765956 (1.82315e-06% change) large trace change predicted (1.06306e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659428353625 (1.06278e-05% change) linmin: converged after 2 iterations. iteration 258: trace = 2.412659371337132 (2.36322e-06% change) linmin: converged after 2 iterations. iteration 259: trace = 2.412659308512709 (2.60395e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.412659187315404 (5.02339e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659101045537 (3.57572e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659034997638 (2.73756e-06% change) large trace change predicted (1.05576e-05%) linmin: converged after 3 iterations. iteration 263: trace = 2.412658780332452 (1.05554e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.41265870605476 (3.07867e-06% change) large trace change predicted (8.47671e-06%) linmin: converged after 3 iterations. iteration 265: trace = 2.41265850154294 (8.47662e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.412658095924848 (1.68121e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412657996888762 (4.10485e-06% change) large trace change predicted (3.72669e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.412657097672303 (3.72708e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.41265651990188 (2.39475e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.412655900257092 (2.56831e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.41265535123134 (2.27561e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.412654974135397 (1.56299e-05% change) linmin: converged after 8 iterations. iteration 273: trace = 2.412654516173084 (1.89817e-05% change) linmin: converged after 2 iterations. iteration 274: trace = 2.412654099352377 (1.72764e-05% change) linmin: converged after 2 iterations. iteration 275: trace = 2.412653991608299 (4.46579e-06% change) large trace change predicted (1.35232e-05%) linmin: converged after 3 iterations. iteration 276: trace = 2.412653665307982 (1.35245e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.412653369607154 (1.22562e-05% change) linmin: converged after 6 iterations. iteration 278: trace = 2.412653137700308 (9.61211e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.412652732940898 (1.67765e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652471134032 (1.08514e-05% change) linmin: converged after 2 iterations. iteration 281: trace = 2.412652379568299 (3.79523e-06% change) linmin: converged after 4 iterations. iteration 282: trace = 2.412652271444148 (4.48155e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.412652104154837 (6.93383e-06% change) linmin: converged after 4 iterations. iteration 284: trace = 2.412652063096349 (1.7018e-06% change) large trace change predicted (7.60343e-06%) linmin: converged after 5 iterations. iteration 285: trace = 2.412651879640943 (7.60389e-06% change) linmin: converged after 5 iterations. iteration 286: trace = 2.412651722760311 (6.50241e-06% change) linmin: converged after 3 iterations. iteration 287: trace = 2.412651577782395 (6.00907e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.412651341097908 (9.81014e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.412651090002302 (1.04075e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.412650696682913 (1.63024e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650111553912 (2.42525e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.412649985319771 (5.23218e-06% change) large trace change predicted (1.54273e-05%) linmin: converged after 3 iterations. iteration 293: trace = 2.412649613036373 (1.54305e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.412649204954141 (1.69143e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649100177768 (4.34279e-06% change) large trace change predicted (1.4801e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648743019583 (1.48036e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.412648620260601 (5.08814e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.412648481859175 (5.73649e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.412648314634168 (6.93118e-06% change) linmin: converged after 2 iterations. iteration 300: trace = 2.412648209376422 (4.36275e-06% change) linmin: converged after 4 iterations. iteration 301: trace = 2.412648143003434 (2.75104e-06% change) large trace change predicted (7.9194e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.41264795191508 (7.92027e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.412647924610744 (1.13172e-06% change) large trace change predicted (6.54242e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647766730641 (6.54385e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647710659285 (2.32406e-06% change) linmin: converged after 17 iterations. iteration 306: trace = 2.412647675045531 (1.47613e-06% change) large trace change predicted (4.76819e-06%) linmin: converged after 3 iterations. iteration 307: trace = 2.4126475599633 (4.76996e-06% change) linmin: converged after 5 iterations. iteration 308: trace = 2.41264746188922 (4.065e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647438061058 (9.87635e-07% change) large trace change predicted (3.32693e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.41264735777568 (3.32769e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647277437445 (3.32988e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647223889318 (2.21948e-06% change) large trace change predicted (6.33146e-06%) linmin: converged after 3 iterations. iteration 313: trace = 2.412647071062271 (6.33441e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.412646860101411 (8.74396e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.412646665102737 (8.08235e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.412646403429805 (1.08459e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.412646154681307 (1.03102e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.412646086728278 (2.81654e-06% change) large trace change predicted (1.06865e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645828731048 (1.06935e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645779034855 (2.05982e-06% change) large trace change predicted (6.39797e-06%) linmin: converged after 3 iterations. iteration 321: trace = 2.412645624646683 (6.39912e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.412645528233634 (3.99615e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.412645493019316 (1.45957e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.412645426668772 (2.75012e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.412645340808734 (3.55875e-06% change) linmin: converged after 5 iterations. iteration 326: trace = 2.412645322853801 (7.44201e-07% change) large trace change predicted (4.364e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645217555581 (4.36443e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.412645189472457 (1.164e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645148171204 (1.71187e-06% change) linmin: converged after 13 iterations. iteration 330: trace = 2.412645099006474 (2.03779e-06% change) linmin: converged after 4 iterations. iteration 331: trace = 2.412645083037816 (6.61873e-07% change) large trace change predicted (3.24069e-06%) linmin: converged after 13 iterations. iteration 332: trace = 2.412645004850119 (3.24075e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644906530701 (4.07517e-06% change) linmin: converged after 2 iterations. iteration 334: trace = 2.412644841276963 (2.70466e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644715265822 (5.22295e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.412644537133622 (7.38328e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.41264445985655 (3.203e-06% change) large trace change predicted (1.40971e-05%) linmin: converged after 5 iterations. iteration 338: trace = 2.412644119721099 (1.4098e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643900880543 (9.07057e-06% change) linmin: converged after 3 iterations. iteration 340: trace = 2.412643710061388 (7.90913e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.412643521303323 (7.8237e-06% change) linmin: converged after 5 iterations. iteration 342: trace = 2.412643374552808 (6.08256e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643322453622 (2.15942e-06% change) large trace change predicted (6.49374e-06%) linmin: converged after 4 iterations. iteration 344: trace = 2.412643165791662 (6.49337e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643146096444 (8.16334e-07% change) large trace change predicted (2.51515e-06%) linmin: converged after 7 iterations. iteration 346: trace = 2.412643085428082 (2.5146e-06% change) linmin: converged after 2 iterations. iteration 347: trace = 2.412643020565581 (2.68844e-06% change) linmin: converged after 21 iterations. iteration 348: trace = 2.41264300519662 (6.37018e-07% change) large trace change predicted (3.62868e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.41264291765293 (3.62854e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.412642859315447 (2.41799e-06% change) linmin: converged after 2 iterations. iteration 351: trace = 2.412642846949237 (5.12559e-07% change) large trace change predicted (1.82128e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642803010086 (1.8212e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.412642762755405 (1.66849e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642746504011 (6.73593e-07% change) large trace change predicted (4.82919e-06%) linmin: converged after 6 iterations. iteration 355: trace = 2.412642629987661 (4.82941e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642603134443 (1.11302e-06% change) large trace change predicted (5.08853e-06%) linmin: converged after 5 iterations. iteration 357: trace = 2.412642480339624 (5.08964e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412642375242323 (4.35611e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.412642331645512 (1.80702e-06% change) large trace change predicted (9.08624e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.412642112440113 (9.0857e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.412641938356182 (7.21549e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.412641821792683 (4.83136e-06% change) linmin: converged after 9 iterations. iteration 363: trace = 2.412641638906424 (7.58033e-06% change) linmin: converged after 3 iterations. iteration 364: trace = 2.412641574422044 (2.67277e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.412641483394311 (3.77295e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.412641379027741 (4.32582e-06% change) linmin: converged after 6 iterations. iteration 367: trace = 2.412641347839422 (1.2927e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.412641301398639 (1.92489e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.412641251098208 (2.08487e-06% change) linmin: converged after 4 iterations. iteration 370: trace = 2.412641211682599 (1.63371e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.412641199014339 (5.25078e-07% change) large trace change predicted (2.957e-06%) linmin: converged after 3 iterations. iteration 372: trace = 2.412641127677641 (2.95679e-06% change) linmin: converged after 4 iterations. iteration 373: trace = 2.412641117522358 (4.2092e-07% change) large trace change predicted (2.42559e-06%) linmin: converged after 5 iterations. iteration 374: trace = 2.412641059009666 (2.42525e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.412641024921661 (1.41289e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.4126410107413 (5.87753e-07% change) large trace change predicted (2.36494e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640953691071 (2.36464e-06% change) linmin: converged after 8 iterations. iteration 378: trace = 2.412640884387427 (2.87252e-06% change) linmin: converged after 2 iterations. iteration 379: trace = 2.412640866306484 (7.49425e-07% change) large trace change predicted (4.92939e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640747426977 (4.92736e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.412640689140239 (2.41589e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.41264062995898 (2.45297e-06% change) large trace change predicted (9.24794e-06%) linmin: converged after 5 iterations. iteration 383: trace = 2.412640407050638 (9.23919e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.412640363620963 (1.80009e-06% change) large trace change predicted (9.41105e-06%) linmin: converged after 4 iterations. iteration 385: trace = 2.412640136752991 (9.40331e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.412640012544511 (5.14824e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.412639918385238 (3.90275e-06% change) linmin: converged after 3 iterations. iteration 388: trace = 2.412639889961345 (1.17812e-06% change) large trace change predicted (3.84647e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639797189143 (3.84526e-06% change) linmin: converged after 2 iterations. iteration 390: trace = 2.412639766612905 (1.26734e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.412639710304876 (2.33388e-06% change) linmin: converged after 3 iterations. iteration 392: trace = 2.412639636247154 (3.06957e-06% change) linmin: converged after 7 iterations. iteration 393: trace = 2.412639621558032 (6.0884e-07% change) large trace change predicted (2.54201e-06%) linmin: converged after 3 iterations. iteration 394: trace = 2.412639560234132 (2.54178e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520229977 (1.65811e-06% change) linmin: converged after 2 iterations. iteration 396: trace = 2.412639509524115 (4.43741e-07% change) large trace change predicted (3.18346e-06%) linmin: converged after 5 iterations. iteration 397: trace = 2.412639432724575 (3.18322e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.41263940618359 (1.10008e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.412639356053994 (2.07779e-06% change) linmin: converged after 4 iterations. iteration 400: trace = 2.412639301279342 (2.27032e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.412639253835454 (1.96647e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.412639209202434 (1.84997e-06% change) large trace change predicted (5.87301e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639067495256 (5.87353e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639018305488 (2.03884e-06% change) large trace change predicted (8.36149e-06%) linmin: converged after 4 iterations. iteration 405: trace = 2.412638816571596 (8.36155e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.412638646418983 (7.05255e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.41263857728411 (2.86553e-06% change) large trace change predicted (1.32474e-05%) linmin: converged after 4 iterations. iteration 408: trace = 2.412638257675468 (1.32473e-05% change) linmin: converged after 4 iterations. iteration 409: trace = 2.412638070279451 (7.76727e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637959693841 (4.5836e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.412637868852814 (3.76522e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.412637810555629 (2.41633e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.41263774990739 (2.51377e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637671970274 (3.23037e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.412637639141956 (1.36068e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.412637612428964 (1.10721e-06% change) large trace change predicted (2.5161e-06%) linmin: converged after 2 iterations. iteration 417: trace = 2.412637551723583 (2.51614e-06% change) linmin: converged after 5 iterations. iteration 418: trace = 2.412637525584475 (1.08342e-06% change) linmin: converged after 2 iterations. iteration 419: trace = 2.412637482541428 (1.78407e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.412637443264723 (1.62796e-06% change) linmin: converged after 9 iterations. iteration 421: trace = 2.412637421096797 (9.18825e-07% change) large trace change predicted (2.19994e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.412637368017712 (2.20004e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.412637349755569 (7.56937e-07% change) large trace change predicted (1.62778e-06%) linmin: converged after 2 iterations. iteration 424: trace = 2.412637310481005 (1.62787e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.412637250811233 (2.47322e-06% change) linmin: converged after 2 iterations. iteration 426: trace = 2.41263722815829 (9.38929e-07% change) large trace change predicted (2.66665e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.412637163828281 (2.66638e-06% change) linmin: converged after 6 iterations. iteration 428: trace = 2.412637082750793 (3.36053e-06% change) linmin: converged after 4 iterations. iteration 429: trace = 2.412637055298965 (1.13783e-06% change) large trace change predicted (8.76191e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636843900627 (8.76213e-06% change) linmin: converged after 4 iterations. iteration 431: trace = 2.412636690171768 (6.37182e-06% change) linmin: converged after 2 iterations. iteration 432: trace = 2.41263657266891 (4.87031e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.412636457379567 (4.77856e-06% change) linmin: converged after 5 iterations. iteration 434: trace = 2.412636290033088 (6.93625e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636255244601 (1.44193e-06% change) large trace change predicted (3.93018e-06%) linmin: converged after 4 iterations. iteration 436: trace = 2.412636160416549 (3.93047e-06% change) linmin: converged after 4 iterations. iteration 437: trace = 2.412636135228458 (1.04401e-06% change) linmin: converged after 21 iterations. iteration 438: trace = 2.412636100893475 (1.42313e-06% change) linmin: converged after 3 iterations. iteration 439: trace = 2.412636063113435 (1.56592e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.41263604569191 (7.22095e-07% change) linmin: converged after 3 iterations. iteration 441: trace = 2.412636018135621 (1.14217e-06% change) linmin: converged after 23 iterations. iteration 442: trace = 2.41263598057325 (1.5569e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.412635967626498 (5.36623e-07% change) linmin: converged after 5 iterations. iteration 444: trace = 2.412635942528196 (1.04029e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.412635914550125 (1.15965e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.412635899498407 (6.2387e-07% change) large trace change predicted (2.24749e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635845251162 (2.24846e-06% change) linmin: converged after 2 iterations. iteration 448: trace = 2.412635826291356 (7.85854e-07% change) linmin: converged after 2 iterations. iteration 449: trace = 2.412635806954844 (8.01468e-07% change) large trace change predicted (1.91341e-06%) linmin: converged after 4 iterations. iteration 450: trace = 2.412635760782012 (1.91379e-06% change) linmin: converged after 3 iterations. iteration 451: trace = 2.412635698515645 (2.58084e-06% change) linmin: converged after 2 iterations. iteration 452: trace = 2.41263567681138 (8.99608e-07% change) large trace change predicted (3.20332e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635599505745 (3.2042e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635519397138 (3.32038e-06% change) linmin: converged after 4 iterations. iteration 455: trace = 2.412635470086244 (2.04386e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.412635397199117 (3.02106e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635283107234 (4.72893e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635267617599 (6.42021e-07% change) large trace change predicted (3.27066e-06%) linmin: converged after 3 iterations. iteration 459: trace = 2.412635188671523 (3.27219e-06% change) linmin: converged after 4 iterations. iteration 460: trace = 2.412635181289813 (3.0596e-07% change) large trace change predicted (1.46094e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.412635146036498 (1.4612e-06% change) linmin: converged after 6 iterations. iteration 462: trace = 2.41263512546741 (8.52557e-07% change) linmin: converged after 3 iterations. iteration 463: trace = 2.412635117825538 (3.16744e-07% change) large trace change predicted (1.01008e-06%) linmin: converged after 4 iterations. iteration 464: trace = 2.412635093455026 (1.01012e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.412635071706624 (9.01438e-07% change) linmin: converged after 33 iterations. iteration 466: trace = 2.412635062138885 (3.96568e-07% change) large trace change predicted (1.39191e-06%) linmin: converged after 2 iterations. iteration 467: trace = 2.412635028556504 (1.39194e-06% change) linmin: converged after 2 iterations. iteration 468: trace = 2.412635019004531 (3.95915e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.412635009090641 (4.10915e-07% change) large trace change predicted (1.36202e-06%) linmin: converged after 4 iterations. iteration 470: trace = 2.412634976231675 (1.36195e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.412634964766529 (4.75213e-07% change) large trace change predicted (1.21676e-06%) linmin: converged after 5 iterations. iteration 472: trace = 2.412634935413752 (1.21663e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.412634903239154 (1.33359e-06% change) linmin: converged after 3 iterations. iteration 474: trace = 2.41263487104609 (1.33435e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.412634838873295 (1.33351e-06% change) large trace change predicted (3.41575e-06%) linmin: converged after 3 iterations. iteration 476: trace = 2.41263475648488 (3.41487e-06% change) linmin: converged after 5 iterations. iteration 477: trace = 2.412634724018488 (1.34568e-06% change) large trace change predicted (4.04071e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.412634626554272 (4.03974e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.412634546204464 (3.33038e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.412634518892818 (1.13203e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.412634477921203 (1.69821e-06% change) linmin: converged after 8 iterations. iteration 482: trace = 2.412634435410197 (1.76202e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.41263441142533 (9.94136e-07% change) linmin: converged after 4 iterations. iteration 484: trace = 2.412634366387933 (1.86673e-06% change) linmin: converged after 23 iterations. iteration 485: trace = 2.412634359216629 (2.9724e-07% change) linmin: converged after 4 iterations. iteration 486: trace = 2.412634346451009 (5.29115e-07% change) linmin: converged after 4 iterations. iteration 487: trace = 2.41263432749082 (7.85871e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.412634316977386 (4.35766e-07% change) linmin: converged after 3 iterations. iteration 489: trace = 2.41263429742343 (8.10482e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 490: trace = 2.412634281398441 (6.64211e-07% change) linmin: converged after 2 iterations. iteration 491: trace = 2.412634273178254 (3.40714e-07% change) linmin: converged after 4 iterations. iteration 492: trace = 2.412634257826255 (6.36317e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.412634249910622 (3.28091e-07% change) linmin: converged after 2 iterations. iteration 494: trace = 2.412634239103658 (4.47932e-07% change) large trace change predicted (1.6839e-06%) linmin: converged after 15 iterations. iteration 495: trace = 2.412634198476533 (1.68393e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.412634192376879 (2.52821e-07% change) large trace change predicted (1.78698e-06%) linmin: converged after 3 iterations. iteration 497: trace = 2.412634149259401 (1.78715e-06% change) linmin: converged after 7 iterations. iteration 498: trace = 2.412634116977051 (1.33805e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634104420394 (5.20454e-07% change) large trace change predicted (3.27777e-06%) linmin: converged after 4 iterations. iteration 500: trace = 2.41263402533783 (3.27785e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.412633993481655 (1.32039e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633932436417 (2.53023e-06% change) linmin: converged after 3 iterations. iteration 503: trace = 2.412633878272361 (2.24502e-06% change) linmin: converged after 13 iterations. iteration 504: trace = 2.412633850770785 (1.1399e-06% change) linmin: converged after 2 iterations. iteration 505: trace = 2.412633823831545 (1.11659e-06% change) linmin: converged after 3 iterations. iteration 506: trace = 2.412633783433251 (1.67445e-06% change) linmin: converged after 2 iterations. iteration 507: trace = 2.41263376152198 (9.08189e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.41263375396428 (3.13255e-07% change) linmin: converged after 4 iterations. iteration 509: trace = 2.41263374051327 (5.57524e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.412633724338245 (6.7043e-07% change) linmin: converged after 4 iterations. iteration 511: trace = 2.412633719363827 (2.06182e-07% change) large trace change predicted (9.30916e-07%) linmin: converged after 2 iterations. iteration 512: trace = 2.41263369690423 (9.30916e-07% change) linmin: converged after 3 iterations. iteration 513: trace = 2.412633693464879 (1.42556e-07% change) large trace change predicted (8.62054e-07%) linmin: converged after 13 iterations. iteration 514: trace = 2.41263367266743 (8.62023e-07% change) linmin: converged after 7 iterations. iteration 515: trace = 2.412633659498834 (5.45818e-07% change) linmin: converged after 10 iterations. iteration 516: trace = 2.412633654632676 (2.01695e-07% change) large trace change predicted (7.73802e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.412633635966031 (7.73704e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.412633608434151 (1.14115e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.412633603521345 (2.03628e-07% change) large trace change predicted (1.67666e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633563077635 (1.67633e-06% change) linmin: converged after 3 iterations. iteration 521: trace = 2.412633537795935 (1.04789e-06% change) linmin: converged after 8 iterations. iteration 522: trace = 2.412633523050157 (6.1119e-07% change) large trace change predicted (3.55961e-06%) linmin: converged after 3 iterations. iteration 523: trace = 2.412633437225708 (3.55729e-06% change) linmin: converged after 6 iterations. iteration 524: trace = 2.412633400638712 (1.51648e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.412633344300467 (2.33513e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633302693815 (1.72453e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.412633263520811 (1.62366e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.412633249044751 (6.00011e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.412633220902495 (1.16645e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633194868596 (1.07907e-06% change) linmin: converged after 24 iterations. iteration 531: trace = 2.412633185589672 (3.84597e-07% change) large trace change predicted (1.17081e-06%) linmin: converged after 5 iterations. iteration 532: trace = 2.412633157349791 (1.1705e-06% change) linmin: converged after 18 iterations. iteration 533: trace = 2.412633151561614 (2.39911e-07% change) large trace change predicted (7.52596e-07%) linmin: converged after 4 iterations. iteration 534: trace = 2.412633133405271 (7.52553e-07% change) linmin: converged after 6 iterations. iteration 535: trace = 2.412633120522835 (5.33958e-07% change) linmin: converged after 4 iterations. iteration 536: trace = 2.412633116209652 (1.78775e-07% change) large trace change predicted (9.55928e-07%) linmin: converged after 3 iterations. iteration 537: trace = 2.412633093147032 (9.55911e-07% change) linmin: converged after 4 iterations. iteration 538: trace = 2.412633077747357 (6.38293e-07% change) linmin: converged after 2 iterations. iteration 539: trace = 2.412633067267905 (4.34357e-07% change) linmin: converged after 3 iterations. iteration 540: trace = 2.412633050748543 (6.84703e-07% change) linmin: converged after 4 iterations. iteration 541: trace = 2.412633028488011 (9.22665e-07% change) linmin: converged after 12 iterations. iteration 542: trace = 2.41263301176729 (6.93049e-07% change) large trace change predicted (1.49696e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.412632975648782 (1.49706e-06% change) linmin: converged after 5 iterations. iteration 544: trace = 2.412632953910018 (9.01039e-07% change) large trace change predicted (2.21413e-06%) linmin: converged after 4 iterations. iteration 545: trace = 2.412632900488387 (2.21425e-06% change) linmin: converged after 7 iterations. iteration 546: trace = 2.412632847574355 (2.19321e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.412632790590774 (2.36188e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.412632698944047 (3.79862e-06% change) linmin: converged after 9 iterations. iteration 549: trace = 2.41263262965529 (2.87191e-06% change) linmin: converged after 5 iterations. iteration 550: trace = 2.412632600437002 (1.21105e-06% change) linmin: converged after 3 iterations. iteration 551: trace = 2.412632573274917 (1.12583e-06% change) linmin: converged after 2 iterations. iteration 552: trace = 2.412632541916526 (1.29976e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.412632534718713 (2.98339e-07% change) large trace change predicted (1.07947e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.412632508674856 (1.07948e-06% change) linmin: converged after 2 iterations. iteration 555: trace = 2.412632492406104 (6.74315e-07% change) linmin: converged after 3 iterations. iteration 556: trace = 2.412632487524505 (2.02335e-07% change) large trace change predicted (8.8022e-07%) linmin: converged after 2 iterations. iteration 557: trace = 2.412632466287637 (8.80236e-07% change) linmin: converged after 18 iterations. iteration 558: trace = 2.412632458967062 (3.03427e-07% change) large trace change predicted (7.65097e-07%) linmin: converged after 7 iterations. iteration 559: trace = 2.412632440507499 (7.65121e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.412632423663654 (6.98152e-07% change) linmin: converged after 5 iterations. iteration 561: trace = 2.412632417186915 (2.68451e-07% change) large trace change predicted (8.41927e-07%) linmin: converged after 2 iterations. iteration 562: trace = 2.412632396874316 (8.41927e-07% change) linmin: converged after 4 iterations. iteration 563: trace = 2.412632392943383 (1.62931e-07% change) large trace change predicted (6.51201e-07%) linmin: converged after 4 iterations. iteration 564: trace = 2.412632377232355 (6.51199e-07% change) linmin: converged after 6 iterations. iteration 565: trace = 2.41263236134339 (6.58574e-07% change) linmin: converged after 3 iterations. iteration 566: trace = 2.412632352762181 (3.55678e-07% change) large trace change predicted (8.39744e-07%) linmin: converged after 3 iterations. iteration 567: trace = 2.412632332503076 (8.3971e-07% change) linmin: converged after 3 iterations. iteration 568: trace = 2.412632300080836 (1.34385e-06% change) linmin: converged after 8 iterations. iteration 569: trace = 2.412632291542108 (3.53917e-07% change) large trace change predicted (2.87692e-06%) linmin: converged after 4 iterations. iteration 570: trace = 2.412632222133003 (2.8769e-06% change) linmin: converged after 4 iterations. iteration 571: trace = 2.412632200344128 (9.03116e-07% change) large trace change predicted (2.40374e-06%) linmin: converged after 4 iterations. iteration 572: trace = 2.412632142344547 (2.404e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632089257472 (2.20038e-06% change) linmin: converged after 4 iterations. iteration 574: trace = 2.412632056084468 (1.37497e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.412632020011681 (1.49516e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.412631993434131 (1.1016e-06% change) linmin: converged after 2 iterations. iteration 577: trace = 2.412631982375488 (4.58364e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.41263197206936 (4.27174e-07% change) linmin: converged after 6 iterations. iteration 579: trace = 2.412631958732016 (5.52813e-07% change) linmin: converged after 2 iterations. iteration 580: trace = 2.412631952322698 (2.65657e-07% change) linmin: converged after 2 iterations. iteration 581: trace = 2.412631940054249 (5.08509e-07% change) linmin: converged after 4 iterations. iteration 582: trace = 2.412631927582905 (5.16919e-07% change) linmin: converged after 2 iterations. iteration 583: trace = 2.412631923745052 (1.59073e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.41263191783662 (2.44896e-07% change) large trace change predicted (6.01244e-07%) linmin: converged after 3 iterations. iteration 585: trace = 2.412631903328644 (6.01334e-07% change) linmin: converged after 9 iterations. iteration 586: trace = 2.41263189921538 (1.70489e-07% change) large trace change predicted (7.55867e-07%) linmin: converged after 5 iterations. iteration 587: trace = 2.412631880974683 (7.5605e-07% change) linmin: converged after 2 iterations. iteration 588: trace = 2.412631872157722 (3.6545e-07% change) linmin: converged after 4 iterations. iteration 589: trace = 2.412631865112983 (2.91994e-07% change) linmin: converged after 3 iterations. iteration 590: trace = 2.412631851166712 (5.78052e-07% change) linmin: converged after 3 iterations. iteration 591: trace = 2.412631829318623 (9.05571e-07% change) linmin: converged after 2 iterations. iteration 592: trace = 2.41263182267964 (2.75176e-07% change) large trace change predicted (1.22306e-06%) linmin: converged after 5 iterations. iteration 593: trace = 2.412631793163721 (1.22339e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.412631764373012 (1.19333e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.412631746085713 (7.57981e-07% change) linmin: converged after 3 iterations. iteration 596: trace = 2.41263172163774 (1.01333e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631678193009 (1.80072e-06% change) linmin: converged after 25 iterations. iteration 598: trace = 2.412631672167898 (2.49732e-07% change) large trace change predicted (1.17526e-06%) linmin: converged after 3 iterations. iteration 599: trace = 2.412631643805945 (1.17556e-06% change) linmin: converged after 10 iterations. iteration 600: trace = 2.412631641132734 (1.10801e-07% change) large trace change predicted (5.23331e-07%) linmin: converged after 6 iterations. iteration 601: trace = 2.412631628505782 (5.23368e-07% change) linmin: converged after 3 iterations. iteration 602: trace = 2.412631619794961 (3.61051e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.412631616836287 (1.22633e-07% change) large trace change predicted (2.58939e-07%) linmin: converged after 3 iterations. iteration 604: trace = 2.412631610588837 (2.58948e-07% change) linmin: converged after 4 iterations. iteration 605: trace = 2.412631601302356 (3.84911e-07% change) linmin: converged after 4 iterations. iteration 606: trace = 2.412631598273479 (1.25542e-07% change) large trace change predicted (4.79209e-07%) linmin: converged after 2 iterations. iteration 607: trace = 2.412631586711736 (4.79217e-07% change) linmin: converged after 4 iterations. iteration 608: trace = 2.412631583489977 (1.33537e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.412631580167655 (1.37705e-07% change) large trace change predicted (4.73114e-07%) linmin: converged after 4 iterations. iteration 610: trace = 2.412631568753292 (4.73108e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631564839756 (1.6221e-07% change) large trace change predicted (4.22627e-07%) linmin: converged after 3 iterations. iteration 612: trace = 2.412631554643607 (4.22615e-07% change) linmin: converged after 13 iterations. iteration 613: trace = 2.412631539839693 (6.136e-07% change) linmin: converged after 22 iterations. iteration 614: trace = 2.412631532912706 (2.87113e-07% change) large trace change predicted (5.87264e-07%) linmin: converged after 4 iterations. iteration 615: trace = 2.412631518745056 (5.87228e-07% change) linmin: converged after 3 iterations. iteration 616: trace = 2.412631495950507 (9.448e-07% change) linmin: converged after 2 iterations. iteration 617: trace = 2.412631488067975 (3.26719e-07% change) large trace change predicted (1.52572e-06%) linmin: converged after 3 iterations. iteration 618: trace = 2.412631451259799 (1.52564e-06% change) linmin: converged after 4 iterations. iteration 619: trace = 2.412631421405861 (1.2374e-06% change) linmin: converged after 3 iterations. iteration 620: trace = 2.412631414337192 (2.92986e-07% change) linmin: converged after 3 iterations. iteration 621: trace = 2.412631401063367 (5.5018e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.41263138153005 (8.09627e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.412631379255139 (9.42917e-08% change) large trace change predicted (6.25595e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.412631364162528 (6.25566e-07% change) linmin: converged after 16 iterations. iteration 625: trace = 2.412631360158656 (1.65955e-07% change) linmin: converged after 2 iterations. iteration 626: trace = 2.412631356533233 (1.50268e-07% change) linmin: converged after 5 iterations. iteration 627: trace = 2.412631351126346 (2.24108e-07% change) linmin: converged after 4 iterations. iteration 628: trace = 2.412631346489905 (1.92174e-07% change) linmin: converged after 4 iterations. iteration 629: trace = 2.41263134245598 (1.672e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.412631338694665 (1.55901e-07% change) linmin: converged after 4 iterations. iteration 631: trace = 2.412631334698505 (1.65635e-07% change) linmin: converged after 4 iterations. iteration 632: trace = 2.412631329872062 (2.00049e-07% change) linmin: converged after 24 iterations. iteration 633: trace = 2.412631327035175 (1.17585e-07% change) linmin: converged after 4 iterations. iteration 634: trace = 2.412631322567035 (1.85198e-07% change) large trace change predicted (5.2672e-07%) linmin: converged after 4 iterations. iteration 635: trace = 2.412631309859258 (5.26719e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.412631306756073 (1.28622e-07% change) large trace change predicted (7.34125e-07%) linmin: converged after 4 iterations. iteration 637: trace = 2.41263128904435 (7.34125e-07% change) linmin: converged after 3 iterations. iteration 638: trace = 2.412631281514049 (3.1212e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.412631274655844 (2.84262e-07% change) large trace change predicted (1.05307e-06%) linmin: converged after 19 iterations. iteration 640: trace = 2.412631249249164 (1.05307e-06% change) linmin: converged after 4 iterations. iteration 641: trace = 2.412631241906419 (3.04346e-07% change) large trace change predicted (1.09334e-06%) linmin: converged after 3 iterations. iteration 642: trace = 2.412631215529722 (1.09328e-06% change) linmin: converged after 4 iterations. iteration 643: trace = 2.412631198860253 (6.90925e-07% change) linmin: converged after 2 iterations. iteration 644: trace = 2.412631191020907 (3.24929e-07% change) linmin: converged after 2 iterations. iteration 645: trace = 2.412631179009522 (4.97854e-07% change) linmin: converged after 4 iterations. iteration 646: trace = 2.412631168317139 (4.43184e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.412631165462873 (1.18305e-07% change) large trace change predicted (3.90172e-07%) linmin: converged after 2 iterations. iteration 648: trace = 2.41263115604932 (3.90178e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631152540675 (1.45428e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631149623993 (1.20892e-07% change) large trace change predicted (2.57283e-07%) linmin: converged after 10 iterations. iteration 651: trace = 2.412631143416642 (2.57286e-07% change) linmin: converged after 4 iterations. iteration 652: trace = 2.412631138673499 (1.96596e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.412631134244974 (1.83556e-07% change) linmin: converged after 6 iterations. iteration 654: trace = 2.412631126151679 (3.35455e-07% change) linmin: converged after 4 iterations. iteration 655: trace = 2.412631121437495 (1.95396e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.412631119426865 (8.33377e-08% change) large trace change predicted (2.39824e-07%) linmin: converged after 3 iterations. iteration 657: trace = 2.412631113640904 (2.3982e-07% change) linmin: converged after 6 iterations. iteration 658: trace = 2.41263110342511 (4.2343e-07% change) linmin: converged after 4 iterations. iteration 659: trace = 2.412631101569247 (7.69228e-08% change) large trace change predicted (7.0411e-07%) linmin: converged after 3 iterations. iteration 660: trace = 2.412631084584231 (7.04004e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.41263107873699 (2.4236e-07% change) linmin: converged after 3 iterations. iteration 662: trace = 2.412631070168752 (3.55141e-07% change) large trace change predicted (1.25101e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631039996711 (1.25059e-06% change) linmin: converged after 4 iterations. iteration 664: trace = 2.41263103488887 (2.11712e-07% change) large trace change predicted (1.21237e-06%) linmin: converged after 3 iterations. iteration 665: trace = 2.412631005647937 (1.21199e-06% change) linmin: converged after 5 iterations. iteration 666: trace = 2.412630989602199 (6.65072e-07% change) linmin: converged after 4 iterations. iteration 667: trace = 2.412630984548771 (2.09457e-07% change) linmin: converged after 11 iterations. iteration 668: trace = 2.412630975061181 (3.93247e-07% change) linmin: converged after 6 iterations. iteration 669: trace = 2.412630963234774 (4.90187e-07% change) linmin: converged after 2 iterations. iteration 670: trace = 2.412630960726057 (1.03983e-07% change) large trace change predicted (4.12674e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630950770993 (4.12623e-07% change) linmin: converged after 8 iterations. iteration 672: trace = 2.4126309447882 (2.47978e-07% change) linmin: converged after 4 iterations. iteration 673: trace = 2.412630939566893 (2.16415e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.412630932124943 (3.08458e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.412630929621089 (1.03781e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.412630926835455 (1.1546e-07% change) large trace change predicted (3.32675e-07%) linmin: converged after 4 iterations. iteration 677: trace = 2.412630918809292 (3.32673e-07% change) linmin: converged after 3 iterations. iteration 678: trace = 2.41263091752307 (5.3312e-08% change) large trace change predicted (3.1518e-07%) linmin: converged after 19 iterations. iteration 679: trace = 2.412630909918869 (3.15183e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.412630902248481 (3.17926e-07% change) linmin: converged after 2 iterations. iteration 681: trace = 2.412630899424782 (1.17038e-07% change) large trace change predicted (2.73905e-07%) linmin: converged after 4 iterations. iteration 682: trace = 2.412630892816519 (2.73903e-07% change) large trace change predicted (6.21416e-07%) linmin: converged after 4 iterations. iteration 683: trace = 2.412630877823446 (6.21441e-07% change) linmin: converged after 19 iterations. iteration 684: trace = 2.412630874507014 (1.37461e-07% change) large trace change predicted (1.1658e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.412630846378597 (1.16588e-06% change) linmin: converged after 4 iterations. iteration 686: trace = 2.41263083153224 (6.1536e-07% change) linmin: converged after 2 iterations. iteration 687: trace = 2.412630821184471 (4.289e-07% change) large trace change predicted (1.59192e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.412630782775186 (1.59201e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.412630772810196 (4.13034e-07% change) large trace change predicted (9.40939e-07%) linmin: converged after 2 iterations. iteration 690: trace = 2.412630750108347 (9.40958e-07% change) linmin: converged after 3 iterations. iteration 691: trace = 2.412630739844361 (4.25427e-07% change) linmin: converged after 12 iterations. iteration 692: trace = 2.412630735944178 (1.61657e-07% change) linmin: converged after 2 iterations. iteration 693: trace = 2.412630728467438 (3.099e-07% change) linmin: converged after 17 iterations. iteration 694: trace = 2.41263071951087 (3.71237e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630717837988 (6.93385e-08% change) large trace change predicted (2.37162e-07%) linmin: converged after 2 iterations. iteration 696: trace = 2.412630712116108 (2.37164e-07% change) linmin: converged after 2 iterations. iteration 697: trace = 2.412630705148088 (2.88814e-07% change) linmin: converged after 4 iterations. iteration 698: trace = 2.412630703208475 (8.03941e-08% change) large trace change predicted (2.24949e-07%) linmin: converged after 4 iterations. iteration 699: trace = 2.412630697781356 (2.24946e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.412630692657899 (2.1236e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.412630690945423 (7.09796e-08% change) large trace change predicted (2.82899e-07%) linmin: converged after 4 iterations. iteration 702: trace = 2.412630684120137 (2.82898e-07% change) linmin: converged after 3 iterations. iteration 703: trace = 2.412630681124368 (1.2417e-07% change) linmin: converged after 24 iterations. iteration 704: trace = 2.412630677198282 (1.6273e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.412630669686157 (3.11367e-07% change) linmin: converged after 3 iterations. iteration 706: trace = 2.41263066651016 (1.3164e-07% change) linmin: converged after 3 iterations. iteration 707: trace = 2.412630660568756 (2.46262e-07% change) linmin: converged after 8 iterations. iteration 708: trace = 2.412630649837819 (4.44782e-07% change) linmin: converged after 11 iterations. iteration 709: trace = 2.412630646117144 (1.54217e-07% change) large trace change predicted (9.76551e-07%) linmin: converged after 9 iterations. iteration 710: trace = 2.412630622557332 (9.7652e-07% change) linmin: converged after 6 iterations. iteration 711: trace = 2.412630602707766 (8.22735e-07% change) linmin: converged after 2 iterations. iteration 712: trace = 2.412630591494117 (4.64789e-07% change) linmin: converged after 2 iterations. iteration 713: trace = 2.41263057572098 (6.53773e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.412630558980266 (6.93878e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.412630551985296 (2.89931e-07% change) linmin: converged after 4 iterations. iteration 716: trace = 2.412630542956005 (3.74251e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.412630539254939 (1.53404e-07% change) linmin: converged after 4 iterations. iteration 718: trace = 2.412630535905184 (1.38842e-07% change) linmin: converged after 2 iterations. iteration 719: trace = 2.412630530990279 (2.03716e-07% change) linmin: converged after 3 iterations. iteration 720: trace = 2.412630526381557 (1.91025e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.412630524793935 (6.58046e-08% change) large trace change predicted (2.1132e-07%) linmin: converged after 7 iterations. iteration 722: trace = 2.412630519695498 (2.11323e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.41263051871171 (4.07766e-08% change) large trace change predicted (1.13966e-07%) linmin: converged after 4 iterations. iteration 724: trace = 2.412630515962018 (1.13971e-07% change) linmin: converged after 5 iterations. iteration 725: trace = 2.412630511041633 (2.03943e-07% change) linmin: converged after 10 iterations. iteration 726: trace = 2.412630509420115 (6.72095e-08% change) large trace change predicted (2.14756e-07%) linmin: converged after 3 iterations. iteration 727: trace = 2.41263050423817 (2.14784e-07% change) linmin: converged after 6 iterations. iteration 728: trace = 2.4126305004001 (1.59082e-07% change) linmin: converged after 5 iterations. iteration 729: trace = 2.412630497108595 (1.36428e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.412630493150552 (1.64055e-07% change) large trace change predicted (3.62985e-07%) linmin: converged after 4 iterations. iteration 731: trace = 2.412630484392366 (3.63014e-07% change) linmin: converged after 2 iterations. iteration 732: trace = 2.412630480753942 (1.50807e-07% change) large trace change predicted (3.59089e-07%) linmin: converged after 29 iterations. iteration 733: trace = 2.412630472089718 (3.59119e-07% change) linmin: converged after 3 iterations. iteration 734: trace = 2.412630458642335 (5.57374e-07% change) linmin: converged after 4 iterations. iteration 735: trace = 2.412630452565332 (2.51883e-07% change) linmin: converged after 3 iterations. iteration 736: trace = 2.41263044375651 (3.65113e-07% change) linmin: converged after 3 iterations. iteration 737: trace = 2.412630429190195 (6.03752e-07% change) linmin: converged after 4 iterations. iteration 738: trace = 2.412630427576415 (6.68888e-08% change) large trace change predicted (3.98314e-07%) linmin: converged after 4 iterations. iteration 739: trace = 2.41263041796527 (3.98368e-07% change) linmin: converged after 32 iterations. iteration 740: trace = 2.412630416372361 (6.60238e-08% change) linmin: converged after 5 iterations. iteration 741: trace = 2.412630413553834 (1.16824e-07% change) linmin: converged after 4 iterations. iteration 742: trace = 2.412630409642811 (1.62106e-07% change) linmin: converged after 7 iterations. iteration 743: trace = 2.41263040881288 (3.43994e-08% change) large trace change predicted (1.26855e-07%) linmin: converged after 2 iterations. iteration 744: trace = 2.412630405752342 (1.26855e-07% change) linmin: converged after 2 iterations. iteration 745: trace = 2.412630401964284 (1.57009e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630401229731 (3.04461e-08% change) large trace change predicted (1.60135e-07%) linmin: converged after 6 iterations. iteration 747: trace = 2.412630397366268 (1.60135e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630394802346 (1.06271e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.412630393113066 (7.00182e-08% change) linmin: converged after 4 iterations. iteration 750: trace = 2.412630391113083 (8.28963e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.412630387785835 (1.3791e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.412630386237142 (6.4191e-08% change) large trace change predicted (2.53207e-07%) linmin: converged after 12 iterations. iteration 753: trace = 2.412630380128195 (2.53207e-07% change) linmin: converged after 31 iterations. iteration 754: trace = 2.412630376462676 (1.5193e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.412630371793358 (1.93536e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.412630364225607 (3.13672e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.412630351770142 (5.16261e-07% change) linmin: converged after 4 iterations. iteration 758: trace = 2.412630349525214 (9.3049e-08% change) large trace change predicted (4.50237e-07%) linmin: converged after 4 iterations. iteration 759: trace = 2.412630338662978 (4.50224e-07% change) linmin: converged after 13 iterations. iteration 760: trace = 2.412630334934183 (1.54553e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.412630331789266 (1.30352e-07% change) linmin: converged after 29 iterations. iteration 762: trace = 2.412630326615727 (2.14436e-07% change) linmin: converged after 2 iterations. iteration 763: trace = 2.412630325156344 (6.04893e-08% change) large trace change predicted (1.82297e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.412630320758337 (1.82291e-07% change) linmin: converged after 13 iterations. iteration 765: trace = 2.412630318548487 (9.1595e-08% change) linmin: converged after 15 iterations. iteration 766: trace = 2.412630317627774 (3.81622e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630316148688 (6.1306e-08% change) linmin: converged after 4 iterations. iteration 768: trace = 2.412630314145852 (8.30146e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.412630312437896 (7.07923e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 770: trace = 2.412630310795131 (6.80902e-08% change) linmin: converged after 13 iterations. iteration 771: trace = 2.412630308946331 (7.663e-08% change) linmin: converged after 4 iterations. iteration 772: trace = 2.412630307547251 (5.79898e-08% change) linmin: converged after 3 iterations. iteration 773: trace = 2.412630306760062 (3.26278e-08% change) large trace change predicted (9.295e-08%) linmin: converged after 10 iterations. iteration 774: trace = 2.412630304517498 (9.2951e-08% change) linmin: converged after 4 iterations. iteration 775: trace = 2.4126303015029 (1.24951e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.412630299274756 (9.23533e-08% change) linmin: converged after 3 iterations. iteration 777: trace = 2.41263029648359 (1.1569e-07% change) linmin: converged after 4 iterations. iteration 778: trace = 2.412630292835221 (1.5122e-07% change) linmin: converged after 4 iterations. iteration 779: trace = 2.41263028875496 (1.69121e-07% change) large trace change predicted (3.44809e-07%) linmin: converged after 4 iterations. iteration 780: trace = 2.412630280435943 (3.44811e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.412630277783107 (1.09956e-07% change) large trace change predicted (3.96052e-07%) linmin: converged after 4 iterations. iteration 782: trace = 2.412630268227963 (3.96047e-07% change) linmin: converged after 4 iterations. iteration 783: trace = 2.412630262762655 (2.26529e-07% change) linmin: converged after 4 iterations. iteration 784: trace = 2.412630260521066 (9.29106e-08% change) large trace change predicted (2.3498e-07%) linmin: converged after 4 iterations. iteration 785: trace = 2.412630254851893 (2.34979e-07% change) linmin: converged after 4 iterations. iteration 786: trace = 2.412630250840719 (1.66257e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.412630249590101 (5.18363e-08% change) large trace change predicted (1.26273e-07%) linmin: converged after 3 iterations. iteration 788: trace = 2.412630246543614 (1.26272e-07% change) linmin: converged after 3 iterations. iteration 789: trace = 2.412630245262961 (5.30812e-08% change) linmin: converged after 3 iterations. iteration 790: trace = 2.412630244560216 (2.91277e-08% change) large trace change predicted (1.11434e-07%) linmin: converged after 4 iterations. iteration 791: trace = 2.412630241871743 (1.11433e-07% change) linmin: converged after 9 iterations. iteration 792: trace = 2.41263023980239 (8.57717e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630238669785 (4.69448e-08% change) linmin: converged after 12 iterations. iteration 794: trace = 2.412630237000144 (6.92042e-08% change) linmin: converged after 30 iterations. iteration 795: trace = 2.412630234612726 (9.8955e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.412630233977294 (2.63377e-08% change) large trace change predicted (9.83339e-08%) linmin: converged after 4 iterations. iteration 797: trace = 2.41263023160488 (9.83331e-08% change) linmin: converged after 4 iterations. iteration 798: trace = 2.412630229752848 (7.6764e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.412630227083799 (1.10628e-07% change) linmin: converged after 3 iterations. iteration 800: trace = 2.412630224549706 (1.05034e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.412630219904849 (1.92523e-07% change) linmin: converged after 4 iterations. iteration 802: trace = 2.412630217250368 (1.10024e-07% change) large trace change predicted (5.20516e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630204695632 (5.20375e-07% change) linmin: converged after 22 iterations. iteration 804: trace = 2.412630202968766 (7.15761e-08% change) large trace change predicted (4.46485e-07%) linmin: converged after 4 iterations. iteration 805: trace = 2.41263019219852 (4.46411e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630187649369 (1.88556e-07% change) linmin: converged after 4 iterations. iteration 807: trace = 2.412630185802642 (7.65441e-08% change) large trace change predicted (2.03517e-07%) linmin: converged after 6 iterations. iteration 808: trace = 2.412630180892753 (2.03508e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.412630176428375 (1.85042e-07% change) linmin: converged after 4 iterations. iteration 810: trace = 2.412630175266362 (4.81637e-08% change) large trace change predicted (1.30499e-07%) linmin: converged after 4 iterations. iteration 811: trace = 2.412630172118143 (1.30489e-07% change) linmin: converged after 7 iterations. iteration 812: trace = 2.412630169812488 (9.5566e-08% change) linmin: converged after 4 iterations. iteration 813: trace = 2.412630168754763 (4.38412e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.412630167047881 (7.07478e-08% change) linmin: converged after 3 iterations. iteration 815: trace = 2.412630164322679 (1.12956e-07% change) linmin: converged after 4 iterations. iteration 816: trace = 2.412630163799455 (2.16869e-08% change) large trace change predicted (1.10013e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.412630161145293 (1.10011e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.412630159895506 (5.18019e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630159267519 (2.60291e-08% change) large trace change predicted (1.46852e-07%) linmin: converged after 2 iterations. iteration 820: trace = 2.412630155724519 (1.46852e-07% change) linmin: converged after 12 iterations. iteration 821: trace = 2.412630153726909 (8.2798e-08% change) linmin: converged after 2 iterations. iteration 822: trace = 2.41263015167246 (8.51539e-08% change) large trace change predicted (2.15255e-07%) linmin: converged after 2 iterations. iteration 823: trace = 2.4126301464791 (2.15257e-07% change) linmin: converged after 4 iterations. iteration 824: trace = 2.412630145405203 (4.45115e-08% change) large trace change predicted (2.95539e-07%) linmin: converged after 4 iterations. iteration 825: trace = 2.412630138274434 (2.9556e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630131289111 (2.89531e-07% change) linmin: converged after 2 iterations. iteration 827: trace = 2.412630128684922 (1.0794e-07% change) large trace change predicted (6.18498e-07%) linmin: converged after 4 iterations. iteration 828: trace = 2.412630113761892 (6.18538e-07% change) linmin: converged after 4 iterations. iteration 829: trace = 2.412630110011665 (1.55441e-07% change) large trace change predicted (3.22352e-07%) linmin: converged after 2 iterations. iteration 830: trace = 2.412630102234462 (3.22354e-07% change) linmin: converged after 4 iterations. iteration 831: trace = 2.412630098178261 (1.68124e-07% change) linmin: converged after 6 iterations. iteration 832: trace = 2.412630096783539 (5.78092e-08% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630094570067 (9.17452e-08% change) linmin: converged after 15 iterations. iteration 834: trace = 2.412630091516835 (1.26552e-07% change) linmin: converged after 6 iterations. iteration 835: trace = 2.412630090974516 (2.24784e-08% change) large trace change predicted (8.65149e-08%) linmin: converged after 4 iterations. iteration 836: trace = 2.412630088887226 (8.65151e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.412630086432678 (1.01737e-07% change) linmin: converged after 2 iterations. iteration 838: trace = 2.412630085755223 (2.80795e-08% change) large trace change predicted (6.21619e-08%) linmin: converged after 4 iterations. iteration 839: trace = 2.412630084255516 (6.21607e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.412630082797628 (6.04273e-08% change) linmin: converged after 3 iterations. iteration 841: trace = 2.412630082151683 (2.67735e-08% change) large trace change predicted (9.68632e-08%) linmin: converged after 6 iterations. iteration 842: trace = 2.412630079814747 (9.68626e-08% change) linmin: converged after 3 iterations. iteration 843: trace = 2.412630077873136 (8.0477e-08% change) linmin: converged after 4 iterations. iteration 844: trace = 2.412630077322069 (2.28409e-08% change) large trace change predicted (1.16172e-07%) linmin: converged after 4 iterations. iteration 845: trace = 2.412630074519308 (1.1617e-07% change) linmin: converged after 14 iterations. iteration 846: trace = 2.412630073295397 (5.07293e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.412630071376244 (7.95461e-08% change) linmin: converged after 3 iterations. iteration 848: trace = 2.41263006756805 (1.57844e-07% change) linmin: converged after 4 iterations. iteration 849: trace = 2.412630063611326 (1.64e-07% change) linmin: converged after 23 iterations. iteration 850: trace = 2.412630057911626 (2.36244e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.412630048429985 (3.93e-07% change) linmin: converged after 2 iterations. iteration 852: trace = 2.412630045356046 (1.2741e-07% change) linmin: converged after 4 iterations. iteration 853: trace = 2.412630041237478 (1.70709e-07% change) linmin: converged after 6 iterations. iteration 854: trace = 2.412630034489398 (2.79698e-07% change) linmin: converged after 3 iterations. iteration 855: trace = 2.412630033307644 (4.8982e-08% change) large trace change predicted (1.34666e-07%) linmin: converged after 4 iterations. iteration 856: trace = 2.412630030058589 (1.34669e-07% change) linmin: converged after 3 iterations. iteration 857: trace = 2.412630028451535 (6.661e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.412630027526302 (3.83496e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.41263002596033 (6.49072e-08% change) linmin: converged after 2 iterations. iteration 860: trace = 2.41263002426189 (7.03979e-08% change) linmin: converged after 2 iterations. iteration 861: trace = 2.412630023738317 (2.17013e-08% change) large trace change predicted (8.43043e-08%) linmin: converged after 3 iterations. iteration 862: trace = 2.412630021704316 (8.43064e-08% change) linmin: converged after 3 iterations. iteration 863: trace = 2.412630021341261 (1.50481e-08% change) large trace change predicted (4.45624e-08%) linmin: converged after 3 iterations. iteration 864: trace = 2.412630020266133 (4.45625e-08% change) linmin: converged after 20 iterations. iteration 865: trace = 2.41263001879348 (6.10393e-08% change) linmin: converged after 7 iterations. iteration 866: trace = 2.412630018330186 (1.92029e-08% change) large trace change predicted (8.33906e-08%) linmin: converged after 3 iterations. iteration 867: trace = 2.412630016318106 (8.33978e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630014669663 (6.83255e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.412630013715324 (3.9556e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.412630011965329 (7.25348e-08% change) linmin: converged after 5 iterations. iteration 871: trace = 2.41263000906598 (1.20174e-07% change) linmin: converged after 4 iterations. iteration 872: trace = 2.412630006276959 (1.15601e-07% change) linmin: converged after 7 iterations. iteration 873: trace = 2.412630004599158 (6.95424e-08% change) large trace change predicted (2.47966e-07%) linmin: converged after 3 iterations. iteration 874: trace = 2.41262999861579 (2.48002e-07% change) linmin: converged after 4 iterations. iteration 875: trace = 2.412629997238986 (5.70665e-08% change) large trace change predicted (1.19532e-07%) linmin: converged after 27 iterations. iteration 876: trace = 2.412629994355018 (1.19536e-07% change) linmin: converged after 24 iterations. iteration 877: trace = 2.412629988896999 (2.26227e-07% change) linmin: converged after 3 iterations. iteration 878: trace = 2.412629987807245 (4.51687e-08% change) large trace change predicted (1.16381e-07%) linmin: converged after 5 iterations. iteration 879: trace = 2.412629984999231 (1.16388e-07% change) linmin: converged after 25 iterations. iteration 880: trace = 2.412629983192354 (7.48925e-08% change) linmin: converged after 13 iterations. iteration 881: trace = 2.412629982664053 (2.18973e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.412629981825356 (3.47628e-08% change) linmin: converged after 3 iterations. iteration 883: trace = 2.412629980772257 (4.36494e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.412629980440771 (1.37396e-08% change) large trace change predicted (4.85276e-08%) linmin: converged after 2 iterations. iteration 885: trace = 2.412629979269977 (4.85277e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.41262997833877 (3.85972e-08% change) linmin: converged after 4 iterations. iteration 887: trace = 2.412629977798379 (2.23984e-08% change) linmin: converged after 4 iterations. iteration 888: trace = 2.412629977190071 (2.52134e-08% change) large trace change predicted (5.60987e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.412629975836624 (5.60984e-08% change) linmin: converged after 22 iterations. iteration 890: trace = 2.412629975587044 (1.03448e-08% change) large trace change predicted (6.84989e-08%) linmin: converged after 6 iterations. iteration 891: trace = 2.412629973934443 (6.84979e-08% change) linmin: converged after 2 iterations. iteration 892: trace = 2.412629973063276 (3.61086e-08% change) linmin: converged after 3 iterations. iteration 893: trace = 2.412629971365875 (7.03548e-08% change) linmin: converged after 6 iterations. iteration 894: trace = 2.412629968988262 (9.85486e-08% change) linmin: converged after 26 iterations. iteration 895: trace = 2.412629967531668 (6.03737e-08% change) linmin: converged after 3 iterations. iteration 896: trace = 2.412629965585865 (8.06507e-08% change) large trace change predicted (1.72751e-07%) linmin: converged after 4 iterations. iteration 897: trace = 2.412629961418062 (1.72749e-07% change) linmin: converged after 3 iterations. iteration 898: trace = 2.412629959576794 (7.63179e-08% change) linmin: converged after 5 iterations. iteration 899: trace = 2.412629957077614 (1.03587e-07% change) linmin: converged after 15 iterations. iteration 900: trace = 2.412629955306942 (7.33918e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.412629954326798 (4.06256e-08% change) linmin: converged after 4 iterations. iteration 902: trace = 2.41262995289412 (5.93824e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.412629951487914 (5.82852e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.412629950877087 (2.53179e-08% change) linmin: converged after 9 iterations. iteration 905: trace = 2.412629949777278 (4.55855e-08% change) linmin: converged after 4 iterations. iteration 906: trace = 2.412629949539097 (9.87224e-09% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629949182246 (1.4791e-08% change) large trace change predicted (4.56695e-08%) linmin: converged after 4 iterations. iteration 908: trace = 2.412629948080416 (4.56693e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.412629946487521 (6.60232e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.412629945022398 (6.07272e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.412629944040829 (4.06846e-08% change) linmin: converged after 2 iterations. iteration 912: trace = 2.412629943617228 (1.75576e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.412629943358155 (1.07382e-08% change) large trace change predicted (3.49266e-08%) linmin: converged after 5 iterations. iteration 914: trace = 2.412629942515498 (3.49269e-08% change) linmin: converged after 4 iterations. iteration 915: trace = 2.412629941805217 (2.94401e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.412629940906071 (3.72683e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.41262994000706 (3.72627e-08% change) linmin: converged after 4 iterations. iteration 918: trace = 2.412629939095594 (3.77789e-08% change) linmin: converged after 2 iterations. iteration 919: trace = 2.41262993767836 (5.87423e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.412629934969972 (1.12259e-07% change) linmin: converged after 4 iterations. iteration 921: trace = 2.412629933998718 (4.02571e-08% change) large trace change predicted (1.22388e-07%) linmin: converged after 4 iterations. iteration 922: trace = 2.412629931045809 (1.22394e-07% change) linmin: converged after 4 iterations. iteration 923: trace = 2.412629928518667 (1.04746e-07% change) linmin: converged after 4 iterations. iteration 924: trace = 2.412629927736712 (3.24109e-08% change) large trace change predicted (8.25361e-08%) linmin: converged after 6 iterations. iteration 925: trace = 2.412629925745427 (8.25359e-08% change) linmin: converged after 3 iterations. iteration 926: trace = 2.41262992407802 (6.91116e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629923403697 (2.79497e-08% change) linmin: converged after 4 iterations. iteration 928: trace = 2.412629922492262 (3.77776e-08% change) linmin: converged after 4 iterations. iteration 929: trace = 2.41262992193026 (2.32942e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.412629921679063 (1.04117e-08% change) large trace change predicted (4.28356e-08%) linmin: converged after 2 iterations. iteration 931: trace = 2.412629920645595 (4.28357e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.412629920007298 (2.64565e-08% change) linmin: converged after 3 iterations. iteration 933: trace = 2.412629919448072 (2.31791e-08% change) linmin: converged after 4 iterations. iteration 934: trace = 2.412629918636434 (3.36412e-08% change) linmin: converged after 3 iterations. iteration 935: trace = 2.412629918252441 (1.5916e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.412629917813768 (1.81823e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.412629917013011 (3.31902e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.412629916304001 (2.93874e-08% change) linmin: converged after 6 iterations. iteration 939: trace = 2.412629915443156 (3.56808e-08% change) linmin: converged after 6 iterations. iteration 940: trace = 2.412629913824798 (6.70786e-08% change) linmin: converged after 6 iterations. iteration 941: trace = 2.412629913036722 (3.26646e-08% change) linmin: converged after 7 iterations. iteration 942: trace = 2.412629912142507 (3.70639e-08% change) large trace change predicted (1.70914e-07%) linmin: converged after 4 iterations. iteration 943: trace = 2.412629908019331 (1.709e-07% change) linmin: converged after 3 iterations. iteration 944: trace = 2.412629906452579 (6.49396e-08% change) large trace change predicted (1.39253e-07%) linmin: converged after 4 iterations. iteration 945: trace = 2.412629903093157 (1.39243e-07% change) linmin: converged after 4 iterations. iteration 946: trace = 2.412629901243452 (7.66676e-08% change) linmin: converged after 3 iterations. iteration 947: trace = 2.412629900341679 (3.73772e-08% change) linmin: converged after 9 iterations. iteration 948: trace = 2.412629898910896 (5.93039e-08% change) linmin: converged after 17 iterations. iteration 949: trace = 2.412629897413668 (6.20579e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629896787406 (2.59576e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.412629895645324 (4.73377e-08% change) linmin: converged after 3 iterations. iteration 952: trace = 2.41262989465721 (4.09559e-08% change) linmin: converged after 14 iterations. iteration 953: trace = 2.412629894362405 (1.22192e-08% change) large trace change predicted (2.4736e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.412629893765623 (2.47358e-08% change) linmin: converged after 17 iterations. iteration 955: trace = 2.412629892981536 (3.24993e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.412629892741 (9.96987e-09% change) large trace change predicted (4.63959e-08%) linmin: converged after 4 iterations. iteration 957: trace = 2.412629891621649 (4.63955e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.412629891464359 (6.51943e-09% change) large trace change predicted (3.02155e-08%) linmin: converged after 29 iterations. iteration 959: trace = 2.412629890735364 (3.02158e-08% change) linmin: converged after 3 iterations. iteration 960: trace = 2.412629889941709 (3.28959e-08% change) linmin: converged after 2 iterations. iteration 961: trace = 2.412629888885546 (4.37764e-08% change) linmin: converged after 2 iterations. iteration 962: trace = 2.412629888537983 (1.4406e-08% change) large trace change predicted (6.95065e-08%) linmin: converged after 2 iterations. iteration 963: trace = 2.412629886861041 (6.95068e-08% change) linmin: converged after 2 iterations. iteration 964: trace = 2.412629885675407 (4.91428e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.412629883714579 (8.12735e-08% change) linmin: converged after 6 iterations. iteration 966: trace = 2.412629881838054 (7.77793e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.412629879545062 (9.50411e-08% change) linmin: converged after 7 iterations. iteration 968: trace = 2.412629876119804 (1.41972e-07% change) linmin: converged after 3 iterations. iteration 969: trace = 2.412629871973365 (1.71864e-07% change) linmin: converged after 7 iterations. iteration 970: trace = 2.412629871458108 (2.13567e-08% change) large trace change predicted (6.25796e-08%) linmin: converged after 3 iterations. iteration 971: trace = 2.41262986994828 (6.25802e-08% change) linmin: converged after 4 iterations. iteration 972: trace = 2.412629868834745 (4.61544e-08% change) linmin: converged after 15 iterations. iteration 973: trace = 2.412629868463976 (1.53678e-08% change) large trace change predicted (3.31173e-08%) linmin: converged after 3 iterations. iteration 974: trace = 2.412629867664979 (3.31172e-08% change) linmin: converged after 3 iterations. iteration 975: trace = 2.412629866771326 (3.70406e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.412629866569455 (8.36726e-09% change) large trace change predicted (3.39927e-08%) linmin: converged after 4 iterations. iteration 977: trace = 2.412629865749332 (3.39929e-08% change) linmin: converged after 24 iterations. iteration 978: trace = 2.412629865327626 (1.74791e-08% change) linmin: converged after 3 iterations. iteration 979: trace = 2.412629865006594 (1.33063e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 980: trace = 2.412629864702602 (1.26e-08% change) linmin: converged after 18 iterations. iteration 981: trace = 2.412629864327111 (1.55636e-08% change) large trace change predicted (3.38337e-08%) linmin: converged after 16 iterations. iteration 982: trace = 2.412629863510833 (3.38335e-08% change) linmin: converged after 4 iterations. iteration 983: trace = 2.412629863323743 (7.75462e-09% change) large trace change predicted (3.28768e-08%) linmin: converged after 6 iterations. iteration 984: trace = 2.412629862530548 (3.28768e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629861865323 (2.75726e-08% change) linmin: converged after 6 iterations. iteration 986: trace = 2.412629861455736 (1.69768e-08% change) large trace change predicted (3.63132e-08%) linmin: converged after 10 iterations. iteration 987: trace = 2.412629860579628 (3.63134e-08% change) linmin: converged after 21 iterations. iteration 988: trace = 2.412629859255359 (5.4889e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.412629858773466 (1.99738e-08% change) large trace change predicted (1.27928e-07%) linmin: converged after 7 iterations. iteration 990: trace = 2.412629855687088 (1.27926e-07% change) linmin: converged after 4 iterations. iteration 991: trace = 2.412629854757756 (3.85194e-08% change) large trace change predicted (1.12594e-07%) linmin: converged after 3 iterations. iteration 992: trace = 2.412629852041302 (1.12593e-07% change) linmin: converged after 3 iterations. iteration 993: trace = 2.412629850260654 (7.38053e-08% change) linmin: converged after 9 iterations. iteration 994: trace = 2.412629849307798 (3.94945e-08% change) large trace change predicted (8.14731e-08%) linmin: converged after 4 iterations. iteration 995: trace = 2.412629847342159 (8.14729e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629846455749 (3.67404e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.41262984589906 (2.30739e-08% change) linmin: converged after 2 iterations. iteration 998: trace = 2.412629845303806 (2.46725e-08% change) linmin: converged after 2 iterations. iteration 999: trace = 2.412629844632871 (2.78093e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.412629844440433 (7.97628e-09% change) large trace change predicted (1.93138e-08%) linmin: converged after 4 iterations. iteration 1001: trace = 2.412629843974462 (1.93138e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.41262984339442 (2.40419e-08% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.412629843171854 (9.22505e-09% change) large trace change predicted (1.8887e-08%) linmin: converged after 3 iterations. iteration 1004: trace = 2.412629842716179 (1.88871e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.412629842229868 (2.01569e-08% change) linmin: converged after 2 iterations. iteration 1006: trace = 2.412629842088795 (5.84723e-09% change) large trace change predicted (3.70325e-08%) linmin: converged after 3 iterations. iteration 1007: trace = 2.412629841195298 (3.70342e-08% change) linmin: converged after 15 iterations. iteration 1008: trace = 2.412629840440104 (3.13017e-08% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.412629839825906 (2.54576e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.412629839549334 (1.14635e-08% change) large trace change predicted (3.725e-08%) linmin: converged after 13 iterations. iteration 1011: trace = 2.412629838650611 (3.72508e-08% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.412629837549948 (4.56209e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.412629836794264 (3.1322e-08% change) large trace change predicted (9.14357e-08%) linmin: converged after 5 iterations. iteration 1014: trace = 2.412629834588074 (9.14434e-08% change) linmin: converged after 26 iterations. iteration 1015: trace = 2.412629834114883 (1.96131e-08% change) large trace change predicted (5.39384e-08%) linmin: converged after 4 iterations. iteration 1016: trace = 2.412629832813508 (5.39401e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.412629831479176 (5.53061e-08% change) linmin: converged after 2 iterations. iteration 1018: trace = 2.41262983119952 (1.15913e-08% change) large trace change predicted (4.62863e-08%) linmin: converged after 4 iterations. iteration 1019: trace = 2.41262983008276 (4.62881e-08% change) linmin: converged after 4 iterations. iteration 1020: trace = 2.412629829659533 (1.75421e-08% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.412629829291342 (1.5261e-08% change) linmin: converged after 22 iterations. iteration 1022: trace = 2.412629828979833 (1.29116e-08% change) linmin: converged after 2 iterations. iteration 1023: trace = 2.412629828729508 (1.03756e-08% change) linmin: converged after 2 iterations. iteration 1024: trace = 2.41262982845296 (1.14625e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629828082467 (1.53564e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.412629827753937 (1.36171e-08% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629827507961 (1.01954e-08% change) linmin: converged after 2 iterations. iteration 1028: trace = 2.412629827199467 (1.27866e-08% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.412629826936687 (1.08918e-08% change) linmin: converged after 3 iterations. iteration 1030: trace = 2.412629826736258 (8.30749e-09% change) large trace change predicted (2.35456e-08%) linmin: converged after 12 iterations. iteration 1031: trace = 2.4126298261682 (2.35452e-08% change) linmin: converged after 4 iterations. iteration 1032: trace = 2.412629826046717 (5.0353e-09% change) large trace change predicted (3.43914e-08%) linmin: converged after 6 iterations. iteration 1033: trace = 2.412629825216987 (3.43911e-08% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.412629824810072 (1.6866e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.41262982424813 (2.32917e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.412629823298848 (3.93464e-08% change) linmin: converged after 3 iterations. iteration 1037: trace = 2.412629821594125 (7.06583e-08% change) linmin: converged after 5 iterations. iteration 1038: trace = 2.412629821111871 (1.99887e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629820301614 (3.3584e-08% change) linmin: converged after 3 iterations. iteration 1040: trace = 2.412629819733379 (2.35525e-08% change) linmin: converged after 6 iterations. iteration 1041: trace = 2.412629819360621 (1.54503e-08% change) linmin: converged after 15 iterations. iteration 1042: trace = 2.412629818821573 (2.23428e-08% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.412629818374532 (1.85292e-08% change) linmin: converged after 7 iterations. iteration 1044: trace = 2.412629818133022 (1.00103e-08% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.412629817682121 (1.86892e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.412629817568746 (4.69923e-09% change) linmin: converged after 4 iterations. iteration 1047: trace = 2.412629817385261 (7.60521e-09% change) large trace change predicted (3.13409e-08%) linmin: converged after 24 iterations. iteration 1048: trace = 2.412629816629118 (3.1341e-08% change) linmin: converged after 3 iterations. iteration 1049: trace = 2.412629815926524 (2.91215e-08% change) resetting CG direction... linmin: converged after 7 iterations. iteration 1050: trace = 2.412629815330634 (2.46988e-08% change) linmin: converged after 6 iterations. iteration 1051: trace = 2.412629814708249 (2.5797e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.412629814397728 (1.28707e-08% change) linmin: converged after 3 iterations. iteration 1053: trace = 2.412629814317381 (3.33028e-09% change) large trace change predicted (1.52376e-08%) linmin: converged after 2 iterations. iteration 1054: trace = 2.412629813949753 (1.52376e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.412629813777152 (7.15404e-09% change) linmin: converged after 7 iterations. iteration 1056: trace = 2.412629813649013 (5.31119e-09% change) large trace change predicted (1.37903e-08%) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629813316302 (1.37904e-08% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.412629812940459 (1.55782e-08% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.412629812726367 (8.87378e-09% change) large trace change predicted (4.08003e-08%) linmin: converged after 4 iterations. iteration 1060: trace = 2.412629811742 (4.08006e-08% change) linmin: converged after 15 iterations. iteration 1061: trace = 2.412629811581529 (6.65126e-09% change) large trace change predicted (3.48844e-08%) linmin: converged after 2 iterations. iteration 1062: trace = 2.412629810739897 (3.48844e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.412629809897765 (3.49051e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.412629809614569 (1.17381e-08% change) large trace change predicted (4.29602e-08%) linmin: converged after 4 iterations. iteration 1065: trace = 2.412629808578098 (4.29602e-08% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629807836248 (3.07486e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.412629807546933 (1.19917e-08% change) linmin: converged after 6 iterations. iteration 1068: trace = 2.412629807248022 (1.23894e-08% change) linmin: converged after 8 iterations. iteration 1069: trace = 2.412629806930983 (1.31408e-08% change) linmin: converged after 7 iterations. iteration 1070: trace = 2.412629806835532 (3.9563e-09% change) large trace change predicted (1.08273e-08%) linmin: converged after 3 iterations. iteration 1071: trace = 2.412629806574314 (1.08271e-08% change) linmin: converged after 4 iterations. iteration 1072: trace = 2.412629806299723 (1.13814e-08% change) linmin: converged after 6 iterations. iteration 1073: trace = 2.41262980613098 (6.99416e-09% change) linmin: converged after 20 iterations. iteration 1074: trace = 2.412629805832091 (1.23885e-08% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.412629805695734 (5.65182e-09% change) linmin: converged after 20 iterations. iteration 1076: trace = 2.412629805574609 (5.02045e-09% change) large trace change predicted (1.71703e-08%) linmin: converged after 4 iterations. iteration 1077: trace = 2.412629805160357 (1.71702e-08% change) linmin: converged after 9 iterations. iteration 1078: trace = 2.412629804984499 (7.28902e-09% change) linmin: converged after 6 iterations. iteration 1079: trace = 2.41262980475963 (9.32049e-09% change) linmin: converged after 16 iterations. iteration 1080: trace = 2.412629804448424 (1.2899e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.41262980393976 (2.10834e-08% change) linmin: converged after 3 iterations. iteration 1082: trace = 2.412629803750554 (7.84233e-09% change) large trace change predicted (4.01689e-08%) linmin: converged after 4 iterations. iteration 1083: trace = 2.412629802781447 (4.01681e-08% change) linmin: converged after 16 iterations. iteration 1084: trace = 2.412629801467682 (5.44536e-08% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.412629800973604 (2.04788e-08% change) linmin: converged after 17 iterations. iteration 1086: trace = 2.412629800167321 (3.34193e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.41262979934793 (3.39626e-08% change) linmin: converged after 2 iterations. iteration 1088: trace = 2.412629799140956 (8.57875e-09% change) large trace change predicted (3.04023e-08%) linmin: converged after 3 iterations. iteration 1089: trace = 2.41262979840748 (3.04015e-08% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.412629798166609 (9.98375e-09% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.412629797840134 (1.35319e-08% change) linmin: converged after 27 iterations. iteration 1092: trace = 2.412629797570855 (1.11612e-08% change) linmin: converged after 4 iterations. iteration 1093: trace = 2.412629797434615 (5.64696e-09% change) linmin: converged after 6 iterations. iteration 1094: trace = 2.412629797190182 (1.01314e-08% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.41262979685259 (1.39927e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.412629796789041 (2.63398e-09% change) large trace change predicted (1.5553e-08%) linmin: converged after 3 iterations. iteration 1097: trace = 2.412629796413805 (1.5553e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629796248522 (6.85075e-09% change) linmin: converged after 3 iterations. iteration 1099: trace = 2.412629796060479 (7.79412e-09% change) linmin: converged after 3 iterations. iteration 1100: trace = 2.412629795838123 (9.21631e-09% change) large trace change predicted (1.99634e-08%) linmin: converged after 4 iterations. iteration 1101: trace = 2.412629795356483 (1.99633e-08% change) linmin: converged after 3 iterations. iteration 1102: trace = 2.412629795267649 (3.68203e-09% change) large trace change predicted (2.60298e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.412629794639647 (2.60298e-08% change) linmin: converged after 4 iterations. iteration 1104: trace = 2.412629794329814 (1.28421e-08% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.412629793888026 (1.83115e-08% change) large trace change predicted (4.20286e-08%) linmin: converged after 13 iterations. iteration 1106: trace = 2.412629792873999 (4.203e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.412629792055092 (3.39425e-08% change) linmin: converged after 2 iterations. iteration 1108: trace = 2.412629791753086 (1.25177e-08% change) large trace change predicted (6.44113e-08%) linmin: converged after 11 iterations. iteration 1109: trace = 2.412629790199048 (6.44126e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.41262978980242 (1.64397e-08% change) linmin: converged after 2 iterations. iteration 1111: trace = 2.412629789131786 (2.77968e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.412629788754297 (1.56464e-08% change) linmin: converged after 23 iterations. iteration 1113: trace = 2.412629788287807 (1.93353e-08% change) linmin: converged after 10 iterations. iteration 1114: trace = 2.412629788169955 (4.88481e-09% change) large trace change predicted (1.6231e-08%) linmin: converged after 4 iterations. iteration 1115: trace = 2.41262978777836 (1.62311e-08% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.412629787650991 (5.27927e-09% change) linmin: converged after 3 iterations. iteration 1117: trace = 2.412629787517564 (5.53036e-09% change) linmin: converged after 2 iterations. iteration 1118: trace = 2.412629787294102 (9.26216e-09% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786998967 (1.22329e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1120: trace = 2.412629786875838 (5.1035e-09% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.412629786639676 (9.78856e-09% change) linmin: converged after 4 iterations. iteration 1122: trace = 2.412629786436447 (8.42358e-09% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.412629786345356 (3.77556e-09% change) linmin: converged after 4 iterations. iteration 1124: trace = 2.412629786167203 (7.38419e-09% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.412629785852923 (1.30265e-08% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.41262978576047 (3.83203e-09% change) large trace change predicted (2.3231e-08%) linmin: converged after 4 iterations. iteration 1127: trace = 2.412629785199993 (2.3231e-08% change) linmin: converged after 3 iterations. iteration 1128: trace = 2.412629784975846 (9.29056e-09% change) large trace change predicted (2.36286e-08%) linmin: converged after 11 iterations. iteration 1129: trace = 2.412629784405779 (2.36285e-08% change) linmin: converged after 10 iterations. iteration 1130: trace = 2.412629783837634 (2.35488e-08% change) linmin: converged after 3 iterations. iteration 1131: trace = 2.412629783557314 (1.16189e-08% change) large trace change predicted (4.81499e-08%) linmin: converged after 2 iterations. iteration 1132: trace = 2.412629782395635 (4.81499e-08% change) linmin: converged after 3 iterations. iteration 1133: trace = 2.412629781700046 (2.88312e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629781376473 (1.34117e-08% change) linmin: converged after 8 iterations. iteration 1135: trace = 2.412629780918228 (1.89936e-08% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.41262978066352 (1.05573e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.412629780537668 (5.21637e-09% change) large trace change predicted (1.53353e-08%) linmin: converged after 2 iterations. iteration 1138: trace = 2.412629780167683 (1.53353e-08% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629780061031 (4.42057e-09% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629779852782 (8.63162e-09% change) linmin: converged after 24 iterations. iteration 1141: trace = 2.412629779747858 (4.34897e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.412629779558971 (7.82908e-09% change) linmin: converged after 3 iterations. iteration 1143: trace = 2.412629779461349 (4.0463e-09% change) large trace change predicted (1.14923e-08%) linmin: converged after 4 iterations. iteration 1144: trace = 2.412629779184079 (1.14924e-08% change) linmin: converged after 18 iterations. iteration 1145: trace = 2.412629779067529 (4.83084e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.412629778991112 (3.16734e-09% change) large trace change predicted (7.76616e-09%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629778803744 (7.76615e-09% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629778593271 (8.72382e-09% change) linmin: converged after 12 iterations. iteration 1149: trace = 2.412629778538856 (2.25539e-09% change) large trace change predicted (1.56822e-08%) linmin: converged after 4 iterations. iteration 1150: trace = 2.412629778160496 (1.56825e-08% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629777770477 (1.61657e-08% change) linmin: converged after 11 iterations. iteration 1152: trace = 2.412629777628953 (5.86597e-09% change) large trace change predicted (1.47828e-08%) linmin: converged after 3 iterations. iteration 1153: trace = 2.412629777272295 (1.4783e-08% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.412629776612317 (2.73551e-08% change) linmin: converged after 3 iterations. iteration 1155: trace = 2.412629776472362 (5.80096e-09% change) large trace change predicted (3.63436e-08%) linmin: converged after 22 iterations. iteration 1156: trace = 2.412629775595476 (3.63457e-08% change) linmin: converged after 14 iterations. iteration 1157: trace = 2.412629775390033 (8.5153e-09% change) linmin: converged after 13 iterations. iteration 1158: trace = 2.412629775061601 (1.3613e-08% change) linmin: converged after 4 iterations. iteration 1159: trace = 2.412629774851404 (8.71235e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.412629774760072 (3.78557e-09% change) linmin: converged after 15 iterations. iteration 1161: trace = 2.412629774652014 (4.47883e-09% change) linmin: converged after 4 iterations. iteration 1162: trace = 2.412629774459644 (7.97346e-09% change) linmin: converged after 28 iterations. iteration 1163: trace = 2.412629774421443 (1.58339e-09% change) large trace change predicted (6.73386e-09%) linmin: converged after 10 iterations. iteration 1164: trace = 2.412629774258982 (6.73378e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.412629774184764 (3.07623e-09% change) linmin: converged after 3 iterations. iteration 1166: trace = 2.412629774103761 (3.35747e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.412629773990117 (4.71037e-09% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.412629773871212 (4.92842e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629773782578 (3.67377e-09% change) linmin: converged after 15 iterations. iteration 1170: trace = 2.412629773649153 (5.53027e-09% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629773532953 (4.81632e-09% change) linmin: converged after 9 iterations. iteration 1172: trace = 2.412629773466749 (2.74408e-09% change) large trace change predicted (6.57208e-09%) linmin: converged after 4 iterations. iteration 1173: trace = 2.412629773308187 (6.57215e-09% change) large trace change predicted (1.75839e-08%) linmin: converged after 4 iterations. iteration 1174: trace = 2.412629772883957 (1.75837e-08% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629772794022 (3.72768e-09% change) large trace change predicted (1.72892e-08%) linmin: converged after 5 iterations. iteration 1176: trace = 2.412629772376906 (1.72888e-08% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.41262977200898 (1.525e-08% change) linmin: converged after 22 iterations. iteration 1178: trace = 2.412629771871646 (5.6923e-09% change) large trace change predicted (1.47066e-08%) linmin: converged after 9 iterations. iteration 1179: trace = 2.412629771516836 (1.47064e-08% change) linmin: converged after 13 iterations. iteration 1180: trace = 2.412629771300411 (8.97051e-09% change) linmin: converged after 3 iterations. iteration 1181: trace = 2.412629771101482 (8.24529e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.412629770943192 (6.5609e-09% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.412629770833109 (4.56278e-09% change) linmin: converged after 17 iterations. iteration 1184: trace = 2.412629770789136 (1.82263e-09% change) large trace change predicted (4.25472e-09%) linmin: converged after 30 iterations. iteration 1185: trace = 2.412629770686486 (4.25469e-09% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.412629770643009 (1.80203e-09% change) large trace change predicted (4.04051e-09%) linmin: converged after 19 iterations. iteration 1187: trace = 2.412629770545527 (4.04051e-09% change) linmin: converged after 7 iterations. iteration 1188: trace = 2.412629770411568 (5.55239e-09% change) linmin: converged after 3 iterations. iteration 1189: trace = 2.412629770258734 (6.33477e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.412629770126411 (5.4846e-09% change) linmin: converged after 14 iterations. iteration 1191: trace = 2.41262977001164 (4.75709e-09% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.412629769947534 (2.6571e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.412629769915993 (1.30731e-09% change) large trace change predicted (5.21767e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.41262976979011 (5.21766e-09% change) linmin: converged after 22 iterations. iteration 1195: trace = 2.412629769716842 (3.03687e-09% change) linmin: converged after 25 iterations. iteration 1196: trace = 2.412629769654314 (2.59167e-09% change) large trace change predicted (5.62881e-09%) linmin: converged after 3 iterations. iteration 1197: trace = 2.412629769518514 (5.62872e-09% change) linmin: converged after 26 iterations. iteration 1198: trace = 2.412629769376921 (5.86882e-09% change) linmin: converged after 3 iterations. iteration 1199: trace = 2.412629769322033 (2.27503e-09% change) large trace change predicted (1.38478e-08%) linmin: converged after 17 iterations. iteration 1200: trace = 2.412629768987935 (1.38479e-08% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.412629768869269 (4.91853e-09% change) large trace change predicted (1.51047e-08%) linmin: converged after 27 iterations. iteration 1202: trace = 2.412629768504847 (1.51048e-08% change) linmin: converged after 4 iterations. iteration 1203: trace = 2.41262976820278 (1.25202e-08% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.412629768077314 (5.20041e-09% change) linmin: converged after 13 iterations. iteration 1205: trace = 2.412629767893641 (7.61296e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629767561875 (1.37512e-08% change) linmin: converged after 5 iterations. iteration 1207: trace = 2.412629767529385 (1.34666e-09% change) large trace change predicted (5.66082e-09%) linmin: converged after 4 iterations. iteration 1208: trace = 2.412629767392806 (5.66099e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629767311432 (3.37285e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.412629767219675 (3.80317e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.412629767180503 (1.62361e-09% change) large trace change predicted (4.57751e-09%) linmin: converged after 2 iterations. iteration 1212: trace = 2.412629767070066 (4.57749e-09% change) linmin: converged after 6 iterations. iteration 1213: trace = 2.41262976703854 (1.3067e-09% change) large trace change predicted (3.68653e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629766949595 (3.68663e-09% change) linmin: converged after 24 iterations. iteration 1215: trace = 2.412629766877231 (2.99936e-09% change) linmin: converged after 29 iterations. iteration 1216: trace = 2.412629766857796 (8.05558e-10% change) large trace change predicted (5.92754e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766714788 (5.9275e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.412629766641833 (3.02388e-09% change) linmin: converged after 2 iterations. iteration 1219: trace = 2.412629766536003 (4.3865e-09% change) linmin: converged after 2 iterations. iteration 1220: trace = 2.412629766426042 (4.55772e-09% change) large trace change predicted (9.31908e-09%) linmin: converged after 4 iterations. iteration 1221: trace = 2.412629766201207 (9.31906e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.412629766080593 (4.9993e-09% change) large trace change predicted (1.08443e-08%) linmin: converged after 4 iterations. iteration 1223: trace = 2.41262976581896 (1.08443e-08% change) large trace change predicted (2.41819e-08%) linmin: converged after 7 iterations. iteration 1224: trace = 2.412629765235559 (2.41811e-08% change) linmin: converged after 2 iterations. iteration 1225: trace = 2.412629765071878 (6.78436e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.412629764827406 (1.0133e-08% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.412629764584543 (1.00663e-08% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629764443211 (5.858e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629764291685 (6.28053e-09% change) linmin: converged after 3 iterations. iteration 1230: trace = 2.412629764090206 (8.35102e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.41262976405935 (1.27894e-09% change) large trace change predicted (3.22241e-09%) linmin: converged after 4 iterations. iteration 1232: trace = 2.412629763981604 (3.22247e-09% change) linmin: converged after 21 iterations. iteration 1233: trace = 2.412629763871717 (4.55463e-09% change) linmin: converged after 16 iterations. iteration 1234: trace = 2.412629763843393 (1.17401e-09% change) large trace change predicted (4.12318e-09%) linmin: converged after 3 iterations. iteration 1235: trace = 2.412629763743918 (4.1231e-09% change) linmin: converged after 3 iterations. iteration 1236: trace = 2.412629763610184 (5.54306e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.412629763590278 (8.25069e-10% change) large trace change predicted (5.43719e-09%) linmin: converged after 3 iterations. iteration 1238: trace = 2.412629763459099 (5.43722e-09% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.412629763405664 (2.21477e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.412629763362288 (1.79787e-09% change) large trace change predicted (6.06198e-09%) linmin: converged after 5 iterations. iteration 1241: trace = 2.412629763216035 (6.06198e-09% change) linmin: converged after 2 iterations. iteration 1242: trace = 2.412629763012911 (8.41918e-09% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.412629762956012 (2.3584e-09% change) large trace change predicted (9.81902e-09%) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629762719115 (9.81903e-09% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.412629762440585 (1.15447e-08% change) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629762311167 (5.36422e-09% change) large trace change predicted (1.3861e-08%) linmin: converged after 5 iterations. iteration 1247: trace = 2.41262976197675 (1.38611e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629761508724 (1.9399e-08% change) linmin: converged after 3 iterations. iteration 1249: trace = 2.412629761404788 (4.30798e-09% change) large trace change predicted (1.32835e-08%) linmin: converged after 3 iterations. iteration 1250: trace = 2.412629761084306 (1.32835e-08% change) linmin: converged after 20 iterations. iteration 1251: trace = 2.412629760996641 (3.6336e-09% change) linmin: converged after 5 iterations. iteration 1252: trace = 2.412629760921558 (3.11208e-09% change) large trace change predicted (7.26061e-09%) linmin: converged after 8 iterations. iteration 1253: trace = 2.412629760746384 (7.26071e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.412629760703734 (1.76778e-09% change) large trace change predicted (5.08393e-09%) linmin: converged after 24 iterations. iteration 1255: trace = 2.412629760581076 (5.08397e-09% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.412629760487618 (3.8737e-09% change) linmin: converged after 4 iterations. iteration 1257: trace = 2.41262976045607 (1.30762e-09% change) large trace change predicted (2.74124e-09%) linmin: converged after 3 iterations. iteration 1258: trace = 2.412629760389934 (2.74126e-09% change) large trace change predicted (7.73221e-09%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629760203385 (7.73219e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1260: trace = 2.412629760095454 (4.47355e-09% change) linmin: converged after 2 iterations. iteration 1261: trace = 2.412629760009046 (3.58151e-09% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.412629759953422 (2.30553e-09% change) linmin: converged after 2 iterations. iteration 1263: trace = 2.41262975990118 (2.16535e-09% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.412629759839774 (2.54519e-09% change) large trace change predicted (5.09912e-09%) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629759716752 (5.0991e-09% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.412629759686715 (1.24498e-09% change) large trace change predicted (4.81917e-09%) linmin: converged after 3 iterations. iteration 1267: trace = 2.412629759570449 (4.81906e-09% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.412629759435394 (5.59784e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.412629759392008 (1.79826e-09% change) large trace change predicted (1.30744e-08%) linmin: converged after 3 iterations. iteration 1270: trace = 2.412629759076573 (1.30743e-08% change) linmin: converged after 5 iterations. iteration 1271: trace = 2.41262975892746 (6.18051e-09% change) large trace change predicted (1.30279e-08%) linmin: converged after 4 iterations. iteration 1272: trace = 2.412629758613146 (1.30279e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629758344649 (1.11288e-08% change) linmin: converged after 8 iterations. iteration 1274: trace = 2.412629758223909 (5.00451e-09% change) linmin: converged after 5 iterations. iteration 1275: trace = 2.412629758102214 (5.04407e-09% change) linmin: converged after 5 iterations. iteration 1276: trace = 2.412629757953925 (6.14636e-09% change) linmin: converged after 2 iterations. iteration 1277: trace = 2.412629757905717 (1.99816e-09% change) large trace change predicted (5.27908e-09%) linmin: converged after 11 iterations. iteration 1278: trace = 2.412629757778354 (5.27903e-09% change) linmin: converged after 4 iterations. iteration 1279: trace = 2.412629757700811 (3.21402e-09% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.412629757626406 (3.08398e-09% change) linmin: converged after 9 iterations. iteration 1281: trace = 2.412629757608092 (7.59099e-10% change) large trace change predicted (4.30256e-09%) linmin: converged after 4 iterations. iteration 1282: trace = 2.412629757504287 (4.30257e-09% change) linmin: converged after 3 iterations. iteration 1283: trace = 2.412629757487875 (6.80244e-10% change) large trace change predicted (2.51918e-09%) linmin: converged after 6 iterations. iteration 1284: trace = 2.412629757427096 (2.51924e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629757372386 (2.26765e-09% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.412629757356539 (6.5683e-10% change) large trace change predicted (2.47706e-09%) linmin: converged after 8 iterations. iteration 1287: trace = 2.412629757296773 (2.47721e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629757219968 (3.18345e-09% change) linmin: converged after 15 iterations. iteration 1289: trace = 2.412629757193996 (1.07649e-09% change) large trace change predicted (4.24527e-09%) linmin: converged after 4 iterations. iteration 1290: trace = 2.412629757091571 (4.24537e-09% change) linmin: converged after 7 iterations. iteration 1291: trace = 2.412629757016349 (3.11786e-09% change) linmin: converged after 10 iterations. iteration 1292: trace = 2.412629756877665 (5.74824e-09% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.412629756822224 (2.29795e-09% change) large trace change predicted (1.16497e-08%) linmin: converged after 5 iterations. iteration 1294: trace = 2.412629756541151 (1.165e-08% change) linmin: converged after 20 iterations. iteration 1295: trace = 2.412629756492236 (2.02746e-09% change) large trace change predicted (1.11015e-08%) linmin: converged after 8 iterations. iteration 1296: trace = 2.412629756224393 (1.11017e-08% change) linmin: converged after 4 iterations. iteration 1297: trace = 2.412629756099762 (5.16575e-09% change) linmin: converged after 10 iterations. iteration 1298: trace = 2.412629756049053 (2.1018e-09% change) large trace change predicted (5.40819e-09%) linmin: converged after 16 iterations. iteration 1299: trace = 2.412629755918575 (5.40814e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.41262975583752 (3.35962e-09% change) linmin: converged after 5 iterations. iteration 1301: trace = 2.412629755779122 (2.4205e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.41262975575407 (1.03837e-09% change) linmin: converged after 4 iterations. iteration 1303: trace = 2.412629755719279 (1.44207e-09% change) linmin: converged after 7 iterations. iteration 1304: trace = 2.412629755688462 (1.27729e-09% change) linmin: converged after 2 iterations. iteration 1305: trace = 2.412629755659491 (1.20083e-09% change) large trace change predicted (2.70452e-09%) linmin: converged after 17 iterations. iteration 1306: trace = 2.412629755594239 (2.70459e-09% change) linmin: converged after 5 iterations. iteration 1307: trace = 2.41262975558055 (5.67391e-10% change) large trace change predicted (1.99208e-09%) linmin: converged after 5 iterations. iteration 1308: trace = 2.412629755532488 (1.99208e-09% change) linmin: converged after 7 iterations. iteration 1309: trace = 2.412629755500845 (1.31156e-09% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.412629755480149 (8.57815e-10% change) linmin: converged after 3 iterations. iteration 1311: trace = 2.412629755438788 (1.71438e-09% change) linmin: converged after 16 iterations. iteration 1312: trace = 2.41262975536844 (2.91581e-09% change) linmin: converged after 6 iterations. iteration 1313: trace = 2.412629755353071 (6.37024e-10% change) large trace change predicted (6.00044e-09%) linmin: converged after 7 iterations. iteration 1314: trace = 2.412629755208304 (6.00039e-09% change) linmin: converged after 6 iterations. iteration 1315: trace = 2.412629755129479 (3.26718e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.412629755053662 (3.14249e-09% change) linmin: converged after 11 iterations. iteration 1317: trace = 2.4126297549393 (4.74015e-09% change) linmin: converged after 8 iterations. iteration 1318: trace = 2.412629754777886 (6.69038e-09% change) linmin: converged after 23 iterations. iteration 1319: trace = 2.412629754752407 (1.05606e-09% change) large trace change predicted (6.10226e-09%) linmin: converged after 6 iterations. iteration 1320: trace = 2.412629754605186 (6.10211e-09% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.412629754582314 (9.48008e-10% change) large trace change predicted (2.36508e-09%) linmin: converged after 2 iterations. iteration 1322: trace = 2.412629754525256 (2.36499e-09% change) linmin: converged after 5 iterations. iteration 1323: trace = 2.412629754484023 (1.70904e-09% change) linmin: converged after 9 iterations. iteration 1324: trace = 2.412629754470649 (5.54304e-10% change) large trace change predicted (1.31927e-09%) linmin: converged after 22 iterations. iteration 1325: trace = 2.41262975443882 (1.31929e-09% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.412629754396482 (1.75485e-09% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.412629754386802 (4.01214e-10% change) large trace change predicted (2.13102e-09%) linmin: converged after 3 iterations. iteration 1328: trace = 2.412629754335388 (2.13103e-09% change) linmin: converged after 4 iterations. iteration 1329: trace = 2.412629754232709 (4.2559e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.412629754167743 (2.69272e-09% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.41262975412656 (1.70698e-09% change) linmin: converged after 6 iterations. iteration 1332: trace = 2.412629754087686 (1.61128e-09% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.412629754080361 (3.03621e-10% change) large trace change predicted (1.83195e-09%) linmin: converged after 2 iterations. iteration 1334: trace = 2.412629754036162 (1.83196e-09% change) linmin: converged after 6 iterations. iteration 1335: trace = 2.412629754009949 (1.08652e-09% change) linmin: converged after 22 iterations. iteration 1336: trace = 2.41262975399747 (5.17233e-10% change) large trace change predicted (1.69601e-09%) linmin: converged after 6 iterations. iteration 1337: trace = 2.41262975395655 (1.69606e-09% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.412629753890491 (2.73806e-09% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.412629753876121 (5.95627e-10% change) large trace change predicted (5.26419e-09%) linmin: converged after 3 iterations. iteration 1340: trace = 2.412629753749114 (5.26423e-09% change) linmin: converged after 28 iterations. iteration 1341: trace = 2.412629753686396 (2.59958e-09% change) linmin: converged after 11 iterations. iteration 1342: trace = 2.41262975360749 (3.27053e-09% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.412629753520402 (3.60968e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.412629753430052 (3.74489e-09% change) linmin: converged after 5 iterations. iteration 1345: trace = 2.412629753394993 (1.45311e-09% change) large trace change predicted (4.40017e-09%) linmin: converged after 16 iterations. iteration 1346: trace = 2.41262975328883 (4.40032e-09% change) linmin: converged after 9 iterations. iteration 1347: trace = 2.412629753274439 (5.96492e-10% change) large trace change predicted (1.67652e-09%) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629753233991 (1.6765e-09% change) linmin: converged after 2 iterations. iteration 1349: trace = 2.412629753195153 (1.60979e-09% change) linmin: converged after 4 iterations. iteration 1350: trace = 2.412629753165568 (1.22626e-09% change) linmin: converged after 2 iterations. iteration 1351: trace = 2.412629753147306 (7.56908e-10% change) large trace change predicted (2.07853e-09%) linmin: converged after 5 iterations. iteration 1352: trace = 2.412629753097162 (2.07841e-09% change) linmin: converged after 3 iterations. iteration 1353: trace = 2.412629753089877 (3.01928e-10% change) large trace change predicted (1.59985e-09%) linmin: converged after 16 iterations. iteration 1354: trace = 2.412629753051279 (1.59985e-09% change) linmin: converged after 11 iterations. iteration 1355: trace = 2.412629753028091 (9.61095e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629753014483 (5.64041e-10% change) large trace change predicted (1.44755e-09%) linmin: converged after 16 iterations. iteration 1357: trace = 2.41262975297956 (1.4475e-09% change) linmin: converged after 3 iterations. iteration 1358: trace = 2.412629752941439 (1.58006e-09% change) linmin: converged after 21 iterations. iteration 1359: trace = 2.412629752926764 (6.08254e-10% change) large trace change predicted (1.56732e-09%) linmin: converged after 13 iterations. iteration 1360: trace = 2.412629752888949 (1.56738e-09% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.412629752817108 (2.97771e-09% change) linmin: converged after 2 iterations. iteration 1362: trace = 2.412629752786211 (1.28064e-09% change) large trace change predicted (4.63685e-09%) linmin: converged after 4 iterations. iteration 1363: trace = 2.412629752674345 (4.6367e-09% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.41262975249692 (7.354e-09% change) linmin: converged after 2 iterations. iteration 1365: trace = 2.412629752452027 (1.86073e-09% change) linmin: converged after 6 iterations. iteration 1366: trace = 2.412629752377991 (3.06868e-09% change) linmin: converged after 26 iterations. iteration 1367: trace = 2.412629752234068 (5.96542e-09% change) linmin: converged after 5 iterations. iteration 1368: trace = 2.412629752184905 (2.03771e-09% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.412629752126702 (2.41244e-09% change) linmin: converged after 17 iterations. iteration 1370: trace = 2.412629752071592 (2.28424e-09% change) linmin: converged after 14 iterations. iteration 1371: trace = 2.412629752047396 (1.00288e-09% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.412629752037367 (4.15719e-10% change) large trace change predicted (1.71521e-09%) linmin: converged after 14 iterations. iteration 1373: trace = 2.412629751995985 (1.71519e-09% change) linmin: converged after 5 iterations. iteration 1374: trace = 2.412629751964998 (1.28439e-09% change) linmin: converged after 3 iterations. iteration 1375: trace = 2.412629751954137 (4.50176e-10% change) large trace change predicted (2.14798e-09%) linmin: converged after 4 iterations. iteration 1376: trace = 2.412629751902312 (2.14804e-09% change) linmin: converged after 23 iterations. iteration 1377: trace = 2.412629751895277 (2.9162e-10% change) large trace change predicted (1.59179e-09%) linmin: converged after 3 iterations. iteration 1378: trace = 2.412629751856872 (1.59181e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.412629751831148 (1.06622e-09% change) linmin: converged after 10 iterations. iteration 1380: trace = 2.412629751823647 (3.1091e-10% change) large trace change predicted (2.56694e-09%) linmin: converged after 4 iterations. iteration 1381: trace = 2.412629751761715 (2.567e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.41262975170625 (2.29892e-09% change) linmin: converged after 3 iterations. iteration 1383: trace = 2.412629751679319 (1.11628e-09% change) linmin: converged after 11 iterations. iteration 1384: trace = 2.412629751631409 (1.98579e-09% change) linmin: converged after 2 iterations. iteration 1385: trace = 2.412629751552787 (3.25877e-09% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.412629751504174 (2.01494e-09% change) large trace change predicted (5.89183e-09%) linmin: converged after 13 iterations. iteration 1387: trace = 2.412629751362024 (5.89192e-09% change) linmin: converged after 10 iterations. iteration 1388: trace = 2.412629751198769 (6.76665e-09% change) linmin: converged after 6 iterations. iteration 1389: trace = 2.412629751157725 (1.70123e-09% change) large trace change predicted (3.51334e-09%) linmin: converged after 6 iterations. iteration 1390: trace = 2.41262975107296 (3.51337e-09% change) linmin: converged after 8 iterations. iteration 1391: trace = 2.412629750999955 (3.02596e-09% change) linmin: converged after 5 iterations. iteration 1392: trace = 2.412629750984963 (6.21397e-10% change) large trace change predicted (2.60581e-09%) linmin: converged after 26 iterations. iteration 1393: trace = 2.412629750922094 (2.60582e-09% change) linmin: converged after 4 iterations. iteration 1394: trace = 2.412629750888899 (1.37591e-09% change) linmin: converged after 10 iterations. iteration 1395: trace = 2.412629750863739 (1.04282e-09% change) linmin: converged after 3 iterations. iteration 1396: trace = 2.412629750828413 (1.46423e-09% change) linmin: converged after 4 iterations. iteration 1397: trace = 2.412629750816397 (4.98053e-10% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629750804695 (4.85002e-10% change) large trace change predicted (2.25372e-09%) linmin: converged after 9 iterations. iteration 1399: trace = 2.412629750750321 (2.25374e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.412629750714023 (1.5045e-09% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629750692184 (9.05175e-10% change) linmin: converged after 2 iterations. iteration 1402: trace = 2.412629750674717 (7.23997e-10% change) linmin: converged after 20 iterations. iteration 1403: trace = 2.412629750662659 (4.99783e-10% change) large trace change predicted (1.07801e-09%) linmin: converged after 4 iterations. iteration 1404: trace = 2.412629750636651 (1.078e-09% change) linmin: converged after 13 iterations. iteration 1405: trace = 2.41262975058959 (1.95061e-09% change) linmin: converged after 5 iterations. iteration 1406: trace = 2.41262975058082 (3.63517e-10% change) large trace change predicted (2.55412e-09%) linmin: converged after 6 iterations. iteration 1407: trace = 2.412629750519202 (2.55395e-09% change) linmin: converged after 20 iterations. iteration 1408: trace = 2.41262975049863 (8.52679e-10% change) large trace change predicted (1.73501e-09%) linmin: converged after 3 iterations. iteration 1409: trace = 2.41262975045677 (1.73503e-09% change) large trace change predicted (3.60999e-09%) linmin: converged after 4 iterations. iteration 1410: trace = 2.412629750369676 (3.60993e-09% change) linmin: converged after 4 iterations. iteration 1411: trace = 2.412629750325395 (1.8354e-09% change) large trace change predicted (4.99358e-09%) linmin: converged after 18 iterations. iteration 1412: trace = 2.412629750204918 (4.99358e-09% change) linmin: converged after 29 iterations. iteration 1413: trace = 2.412629750103007 (4.22406e-09% change) linmin: converged after 2 iterations. iteration 1414: trace = 2.412629750070745 (1.3372e-09% change) linmin: converged after 2 iterations. iteration 1415: trace = 2.412629750018928 (2.14775e-09% change) linmin: converged after 4 iterations. iteration 1416: trace = 2.412629749978968 (1.6563e-09% change) linmin: converged after 2 iterations. iteration 1417: trace = 2.412629749950359 (1.18579e-09% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.412629749922487 (1.15525e-09% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.412629749884512 (1.57401e-09% change) linmin: converged after 5 iterations. iteration 1420: trace = 2.412629749876967 (3.12751e-10% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.412629749866039 (4.52919e-10% change) large trace change predicted (1.38382e-09%) linmin: converged after 4 iterations. iteration 1422: trace = 2.412629749832652 (1.38385e-09% change) linmin: converged after 3 iterations. iteration 1423: trace = 2.412629749824128 (3.5332e-10% change) large trace change predicted (1.02997e-09%) linmin: converged after 4 iterations. iteration 1424: trace = 2.412629749799277 (1.03003e-09% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.412629749782747 (6.8514e-10% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629749773697 (3.75132e-10% change) linmin: converged after 8 iterations. iteration 1427: trace = 2.41262974975708 (6.88729e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.4126297497314 (1.06439e-09% change) linmin: converged after 8 iterations. iteration 1429: trace = 2.412629749726461 (2.04721e-10% change) large trace change predicted (1.70026e-09%) linmin: converged after 18 iterations. iteration 1430: trace = 2.412629749685445 (1.70006e-09% change) linmin: converged after 3 iterations. iteration 1431: trace = 2.412629749646374 (1.61943e-09% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.412629749613233 (1.37365e-09% change) linmin: converged after 3 iterations. iteration 1433: trace = 2.412629749588497 (1.02528e-09% change) large trace change predicted (4.17062e-09%) linmin: converged after 4 iterations. iteration 1434: trace = 2.412629749487873 (4.17072e-09% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.412629749441996 (1.90154e-09% change) linmin: converged after 4 iterations. iteration 1436: trace = 2.412629749372588 (2.87684e-09% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.412629749323266 (2.04432e-09% change) linmin: converged after 19 iterations. iteration 1438: trace = 2.412629749300419 (9.46977e-10% change) linmin: converged after 5 iterations. iteration 1439: trace = 2.412629749273774 (1.10439e-09% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.412629749248169 (1.06132e-09% change) linmin: converged after 4 iterations. iteration 1441: trace = 2.412629749227589 (8.52992e-10% change) linmin: converged after 8 iterations. iteration 1442: trace = 2.412629749221725 (2.43044e-10% change) large trace change predicted (7.72758e-10%) linmin: converged after 6 iterations. iteration 1443: trace = 2.412629749203085 (7.72609e-10% change) linmin: converged after 9 iterations. iteration 1444: trace = 2.412629749199005 (1.69141e-10% change) linmin: converged after 4 iterations. iteration 1445: trace = 2.412629749192293 (2.78164e-10% change) large trace change predicted (9.69578e-10%) linmin: converged after 4 iterations. iteration 1446: trace = 2.412629749168899 (9.69655e-10% change) linmin: converged after 6 iterations. iteration 1447: trace = 2.412629749165722 (1.31683e-10% change) large trace change predicted (8.74551e-10%) linmin: converged after 4 iterations. iteration 1448: trace = 2.412629749144623 (8.74546e-10% change) linmin: converged after 7 iterations. iteration 1449: trace = 2.412629749127461 (7.11314e-10% change) linmin: converged after 3 iterations. iteration 1450: trace = 2.412629749121344 (2.53536e-10% change) large trace change predicted (6.42325e-10%) linmin: converged after 4 iterations. iteration 1451: trace = 2.412629749105847 (6.42362e-10% change) linmin: converged after 6 iterations. iteration 1452: trace = 2.41262974908731 (7.6832e-10% change) linmin: converged after 4 iterations. iteration 1453: trace = 2.412629749080394 (2.86668e-10% change) large trace change predicted (2.13718e-09%) linmin: converged after 6 iterations. iteration 1454: trace = 2.412629749028832 (2.13716e-09% change) linmin: converged after 14 iterations. iteration 1455: trace = 2.412629748996036 (1.35935e-09% change) linmin: converged after 4 iterations. iteration 1456: trace = 2.412629748970848 (1.04398e-09% change) linmin: converged after 10 iterations. iteration 1457: trace = 2.412629748930807 (1.65967e-09% change) linmin: converged after 6 iterations. iteration 1458: trace = 2.412629748886581 (1.8331e-09% change) linmin: converged after 17 iterations. iteration 1459: trace = 2.412629748879148 (3.08057e-10% change) large trace change predicted (2.00335e-09%) linmin: converged after 7 iterations. iteration 1460: trace = 2.412629748830816 (2.00331e-09% change) linmin: converged after 15 iterations. iteration 1461: trace = 2.412629748819055 (4.87487e-10% change) linmin: converged after 6 iterations. iteration 1462: trace = 2.412629748802177 (6.99571e-10% change) linmin: converged after 4 iterations. iteration 1463: trace = 2.412629748787525 (6.07297e-10% change) linmin: converged after 21 iterations. iteration 1464: trace = 2.412629748781712 (2.40927e-10% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.412629748773904 (3.23648e-10% change) large trace change predicted (7.11459e-10%) linmin: converged after 4 iterations. iteration 1466: trace = 2.412629748756738 (7.11498e-10% change) linmin: converged after 21 iterations. iteration 1467: trace = 2.412629748753835 (1.20326e-10% change) large trace change predicted (6.23536e-10%) linmin: converged after 4 iterations. iteration 1468: trace = 2.412629748738792 (6.23514e-10% change) large trace change predicted (2.39081e-09%) linmin: converged after 4 iterations. iteration 1469: trace = 2.412629748681112 (2.39076e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1470: trace = 2.412629748641852 (1.62728e-09% change) linmin: converged after 13 iterations. iteration 1471: trace = 2.412629748623679 (7.53227e-10% change) linmin: converged after 3 iterations. iteration 1472: trace = 2.412629748609404 (5.9167e-10% change) linmin: converged after 14 iterations. iteration 1473: trace = 2.412629748606847 (1.05987e-10% change) large trace change predicted (5.27135e-10%) linmin: converged after 2 iterations. iteration 1474: trace = 2.412629748594131 (5.27043e-10% change) linmin: converged after 11 iterations. iteration 1475: trace = 2.412629748585343 (3.64272e-10% change) linmin: converged after 6 iterations. iteration 1476: trace = 2.412629748580836 (1.86811e-10% change) large trace change predicted (4.99491e-10%) linmin: converged after 3 iterations. iteration 1477: trace = 2.412629748568784 (4.99544e-10% change) large trace change predicted (1.02125e-09%) linmin: converged after 2 iterations. iteration 1478: trace = 2.412629748544145 (1.02123e-09% change) linmin: converged after 8 iterations. iteration 1479: trace = 2.412629748539807 (1.79817e-10% change) large trace change predicted (1.77029e-09%) linmin: converged after 3 iterations. iteration 1480: trace = 2.412629748497097 (1.77028e-09% change) linmin: converged after 4 iterations. iteration 1481: trace = 2.412629748478675 (7.63535e-10% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.412629748458833 (8.22455e-10% change) linmin: converged after 6 iterations. iteration 1483: trace = 2.412629748423267 (1.47413e-09% change) linmin: converged after 13 iterations. iteration 1484: trace = 2.412629748397933 (1.05007e-09% change) linmin: converged after 24 iterations. iteration 1485: trace = 2.412629748377474 (8.47985e-10% change) linmin: converged after 13 iterations. iteration 1486: trace = 2.412629748343881 (1.39237e-09% change) linmin: converged after 3 iterations. iteration 1487: trace = 2.412629748337477 (2.65464e-10% change) linmin: converged after 9 iterations. iteration 1488: trace = 2.412629748326634 (4.49422e-10% change) linmin: converged after 4 iterations. iteration 1489: trace = 2.412629748311049 (6.45989e-10% change) linmin: converged after 4 iterations. iteration 1490: trace = 2.412629748304753 (2.60954e-10% change) linmin: converged after 15 iterations. iteration 1491: trace = 2.412629748293763 (4.55514e-10% change) linmin: converged after 5 iterations. iteration 1492: trace = 2.412629748275319 (7.64473e-10% change) linmin: converged after 8 iterations. iteration 1493: trace = 2.412629748272795 (1.04606e-10% change) large trace change predicted (4.73802e-10%) linmin: converged after 11 iterations. iteration 1494: trace = 2.412629748261365 (4.73774e-10% change) linmin: converged after 7 iterations. iteration 1495: trace = 2.412629748250791 (4.38267e-10% change) linmin: converged after 16 iterations. iteration 1496: trace = 2.412629748248074 (1.12613e-10% change) large trace change predicted (5.46556e-10%) linmin: converged after 4 iterations. iteration 1497: trace = 2.412629748234886 (5.4661e-10% change) linmin: converged after 4 iterations. iteration 1498: trace = 2.412629748225478 (3.89968e-10% change) linmin: converged after 17 iterations. iteration 1499: trace = 2.412629748221503 (1.6476e-10% change) large trace change predicted (5.50023e-10%) linmin: converged after 5 iterations. iteration 1500: trace = 2.412629748208234 (5.49997e-10% change) linmin: converged after 3 iterations. iteration 1501: trace = 2.412629748188944 (7.99538e-10% change) large trace change predicted (1.85287e-09%) linmin: converged after 6 iterations. iteration 1502: trace = 2.412629748144242 (1.85283e-09% change) linmin: converged after 7 iterations. iteration 1503: trace = 2.412629748136617 (3.16046e-10% change) large trace change predicted (2.79953e-09%) linmin: converged after 23 iterations. iteration 1504: trace = 2.412629748069078 (2.79937e-09% change) linmin: converged after 9 iterations. iteration 1505: trace = 2.412629748043216 (1.07196e-09% change) linmin: converged after 5 iterations. iteration 1506: trace = 2.412629748026294 (7.01375e-10% change) large trace change predicted (1.69076e-09%) linmin: converged after 4 iterations. iteration 1507: trace = 2.412629747985506 (1.6906e-09% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.412629747961828 (9.81417e-10% change) linmin: converged after 19 iterations. iteration 1509: trace = 2.412629747944686 (7.10541e-10% change) linmin: converged after 7 iterations. iteration 1510: trace = 2.412629747924829 (8.23044e-10% change) linmin: converged after 4 iterations. iteration 1511: trace = 2.412629747919536 (2.19391e-10% change) linmin: converged after 8 iterations. iteration 1512: trace = 2.412629747912384 (2.96424e-10% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.412629747900631 (4.87137e-10% change) linmin: converged after 5 iterations. iteration 1514: trace = 2.412629747891431 (3.81335e-10% change) linmin: converged after 4 iterations. iteration 1515: trace = 2.412629747885765 (2.34853e-10% change) large trace change predicted (8.20203e-10%) linmin: converged after 4 iterations. iteration 1516: trace = 2.412629747865977 (8.20191e-10% change) linmin: converged after 4 iterations. iteration 1517: trace = 2.412629747862654 (1.3772e-10% change) large trace change predicted (4.83674e-10%) linmin: converged after 6 iterations. iteration 1518: trace = 2.412629747850986 (4.83622e-10% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.412629747842824 (3.38281e-10% change) linmin: converged after 8 iterations. iteration 1520: trace = 2.412629747840231 (1.07514e-10% change) large trace change predicted (8.24691e-10%) linmin: converged after 12 iterations. iteration 1521: trace = 2.412629747820334 (8.24701e-10% change) linmin: converged after 5 iterations. iteration 1522: trace = 2.412629747811581 (3.62762e-10% change) linmin: converged after 15 iterations. iteration 1523: trace = 2.412629747798595 (5.38253e-10% change) linmin: converged after 4 iterations. iteration 1524: trace = 2.412629747773885 (1.02419e-09% change) linmin: converged after 6 iterations. iteration 1525: trace = 2.412629747755432 (7.6486e-10% change) linmin: converged after 5 iterations. iteration 1526: trace = 2.412629747742092 (5.52942e-10% change) large trace change predicted (1.86397e-09%) linmin: converged after 6 iterations. iteration 1527: trace = 2.412629747697123 (1.86388e-09% change) linmin: converged after 3 iterations. iteration 1528: trace = 2.412629747625814 (2.95566e-09% change) linmin: converged after 7 iterations. iteration 1529: trace = 2.412629747611689 (5.85448e-10% change) linmin: converged after 6 iterations. iteration 1530: trace = 2.412629747584416 (1.13046e-09% change) linmin: converged after 3 iterations. iteration 1531: trace = 2.412629747563378 (8.71969e-10% change) linmin: converged after 6 iterations. iteration 1532: trace = 2.412629747553753 (3.98969e-10% change) linmin: converged after 5 iterations. iteration 1533: trace = 2.412629747536315 (7.22782e-10% change) linmin: converged after 2 iterations. iteration 1534: trace = 2.412629747521059 (6.32331e-10% change) linmin: converged after 2 iterations. iteration 1535: trace = 2.412629747517415 (1.5101e-10% change) large trace change predicted (5.06871e-10%) linmin: converged after 3 iterations. iteration 1536: trace = 2.41262974750519 (5.06741e-10% change) linmin: converged after 2 iterations. iteration 1537: trace = 2.412629747497734 (3.09014e-10% change) linmin: converged after 2 iterations. iteration 1538: trace = 2.412629747494841 (1.19921e-10% change) large trace change predicted (3.65587e-10%) linmin: converged after 4 iterations. iteration 1539: trace = 2.412629747486021 (3.65597e-10% change) resetting CG direction... linmin: converged after 15 iterations. iteration 1540: trace = 2.41262974747752 (3.52344e-10% change) linmin: converged after 5 iterations. iteration 1541: trace = 2.412629747474766 (1.14141e-10% change) large trace change predicted (2.9648e-10%) linmin: converged after 4 iterations. iteration 1542: trace = 2.412629747467613 (2.96461e-10% change) linmin: converged after 4 iterations. iteration 1543: trace = 2.41262974745621 (4.7267e-10% change) linmin: converged after 11 iterations. iteration 1544: trace = 2.412629747453333 (1.19221e-10% change) large trace change predicted (5.58226e-10%) linmin: converged after 4 iterations. iteration 1545: trace = 2.412629747439865 (5.58261e-10% change) linmin: converged after 15 iterations. iteration 1546: trace = 2.41262974743112 (3.62449e-10% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.412629747425489 (2.33399e-10% change) large trace change predicted (8.72898e-10%) linmin: converged after 7 iterations. iteration 1548: trace = 2.41262974740443 (8.72871e-10% change) linmin: converged after 6 iterations. iteration 1549: trace = 2.412629747386631 (7.37747e-10% change) linmin: converged after 2 iterations. iteration 1550: trace = 2.412629747361241 (1.05236e-09% change) large trace change predicted (2.17786e-09%) linmin: converged after 6 iterations. iteration 1551: trace = 2.412629747308698 (2.17786e-09% change) linmin: converged after 3 iterations. iteration 1552: trace = 2.412629747299119 (3.96999e-10% change) large trace change predicted (1.38141e-09%) linmin: converged after 9 iterations. iteration 1553: trace = 2.41262974726579 (1.38145e-09% change) linmin: converged after 4 iterations. iteration 1554: trace = 2.412629747247271 (7.67584e-10% change) linmin: converged after 3 iterations. iteration 1555: trace = 2.412629747240624 (2.75514e-10% change) linmin: converged after 6 iterations. iteration 1556: trace = 2.412629747227883 (5.28093e-10% change) linmin: converged after 3 iterations. iteration 1557: trace = 2.412629747214411 (5.5839e-10% change) linmin: converged after 3 iterations. iteration 1558: trace = 2.412629747211094 (1.37499e-10% change) large trace change predicted (5.07217e-10%) linmin: converged after 4 iterations. iteration 1559: trace = 2.412629747198856 (5.07219e-10% change) linmin: converged after 4 iterations. iteration 1560: trace = 2.412629747193703 (2.13593e-10% change) linmin: converged after 4 iterations. iteration 1561: trace = 2.412629747186797 (2.86245e-10% change) linmin: converged after 8 iterations. iteration 1562: trace = 2.412629747181096 (2.36326e-10% change) large trace change predicted (4.76323e-10%) linmin: converged after 4 iterations. iteration 1563: trace = 2.412629747169605 (4.76277e-10% change) linmin: converged after 3 iterations. iteration 1564: trace = 2.41262974716715 (1.01753e-10% change) linmin: converged after 4 iterations. iteration 1565: trace = 2.412629747162648 (1.8659e-10% change) linmin: converged after 4 iterations. iteration 1566: trace = 2.412629747153673 (3.72002e-10% change) linmin: converged after 9 iterations. iteration 1567: trace = 2.412629747151596 (8.61073e-11% change) Finished solving for bands 1 to 10 after 1567 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: 17.225045919418335 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507714310688443 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279493581259 (0.898652% change) linmin: converged after 4 iterations. iteration 3: trace = 2.47330075759425 (0.483152% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471538844765525 (0.0712627% change) large trace change predicted (0.219369%) linmin: converged after 3 iterations. iteration 5: trace = 2.466059667236959 (0.221937% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464717917025954 (0.0544235% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463636191200408 (0.0438981% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462593496882547 (0.0423323% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462287355468577 (0.0124324% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461752590032372 (0.0217206% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461484798342839 (0.0108787% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461340543617053 (0.00586065% change) large trace change predicted (0.0129833%) linmin: converged after 3 iterations. iteration 13: trace = 2.461020409092728 (0.0130074% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940062609918 (0.00326482% change) large trace change predicted (0.00700941%) linmin: converged after 4 iterations. iteration 15: trace = 2.460767769688731 (0.00700135% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460655855606408 (0.00454804% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460571391460683 (0.00343265% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460447203160985 (0.00504726% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460370029602042 (0.00313662% change) large trace change predicted (0.00795678%) linmin: converged after 3 iterations. iteration 20: trace = 2.460173992695224 (0.0079681% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459919961144532 (0.0103263% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459713259887194 (0.00840312% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459365930439792 (0.0141217% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092125804022 (0.0111338% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458659297203916 (0.0176027% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458376236837014 (0.0115135% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263127703752 (0.00460108% change) large trace change predicted (0.0113359%) linmin: converged after 4 iterations. iteration 28: trace = 2.45798673791562 (0.0112439% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457774802942472 (0.00862267% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457671933972268 (0.00418554% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457501091657937 (0.00695163% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457365104364726 (0.00553371% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457316582874493 (0.00197455% change) large trace change predicted (0.00496213%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195088217287 (0.00494432% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457143639503788 (0.00209382% change) linmin: converged after 3 iterations. iteration 36: trace = 2.457081569794985 (0.00252612% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026104214146 (0.0022574% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456983978704391 (0.00171451% change) linmin: converged after 3 iterations. iteration 39: trace = 2.456938843290883 (0.00183704% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456869044383815 (0.00284093% change) linmin: converged after 5 iterations. iteration 41: trace = 2.456832594891702 (0.00148359% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456763135985339 (0.00282721% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456634135961114 (0.00525095% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456572358701895 (0.00251474% change) linmin: converged after 3 iterations. iteration 45: trace = 2.4564604983106 (0.00455362% change) large trace change predicted (0.0097527%) linmin: converged after 4 iterations. iteration 46: trace = 2.456218273832184 (0.0098612% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161367258642 (0.00231686% change) large trace change predicted (0.0100958%) linmin: converged after 4 iterations. iteration 48: trace = 2.455910520188393 (0.0102135% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455766598903892 (0.00586037% change) linmin: converged after 3 iterations. iteration 50: trace = 2.45570777894216 (0.00239521% change) large trace change predicted (0.00907726%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484142314424 (0.00910722% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407011878257 (0.0031412% change) linmin: converged after 5 iterations. iteration 53: trace = 2.455345318996258 (0.00251256% change) large trace change predicted (0.00508818%) linmin: converged after 3 iterations. iteration 54: trace = 2.45522009568445 (0.00510016% change) linmin: converged after 5 iterations. iteration 55: trace = 2.455179715869398 (0.00164467% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132375474928 (0.0019282% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455083301513107 (0.00199885% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455066299994427 (0.000692505% change) linmin: converged after 5 iterations. iteration 59: trace = 2.455039503250365 (0.00109149% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008019449004 (0.00128242% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454994747100748 (0.000540625% change) large trace change predicted (0.00171822%) linmin: converged after 3 iterations. iteration 62: trace = 2.454952497466861 (0.00172098% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454876895384137 (0.00307962% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454854610681225 (0.000907777% change) large trace change predicted (0.00569512%) linmin: converged after 4 iterations. iteration 65: trace = 2.454714998117191 (0.00568736% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454625283948726 (0.00365484% change) linmin: converged after 3 iterations. iteration 67: trace = 2.454575608518168 (0.00202377% change) large trace change predicted (0.00626573%) linmin: converged after 4 iterations. iteration 68: trace = 2.454422294331372 (0.00624625% change) linmin: converged after 4 iterations. iteration 69: trace = 2.454353855180516 (0.00278844% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327319988033 (0.00108115% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454277693469052 (0.00202202% change) linmin: converged after 3 iterations. iteration 72: trace = 2.45424335066675 (0.00139931% change) linmin: converged after 5 iterations. iteration 73: trace = 2.454222572890565 (0.00084661% change) linmin: converged after 3 iterations. iteration 74: trace = 2.454185156694405 (0.00152458% change) linmin: converged after 5 iterations. iteration 75: trace = 2.454170932883173 (0.000579575% change) linmin: converged after 3 iterations. iteration 76: trace = 2.454152977322858 (0.000731637% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454135685909356 (0.00070458% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128056777789 (0.000310869% change) linmin: converged after 3 iterations. iteration 79: trace = 2.45411693260648 (0.000453285% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454101165472129 (0.000642479% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454095669147744 (0.000223965% change) large trace change predicted (0.000568814%) linmin: converged after 3 iterations. iteration 82: trace = 2.454081711389385 (0.000568755% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062642427268 (0.000777033% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454051390684535 (0.000458496% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031265700432 (0.000820075% change) linmin: converged after 5 iterations. iteration 86: trace = 2.454004397454284 (0.00109487% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991651562726 (0.000519393% change) large trace change predicted (0.00138497%) linmin: converged after 3 iterations. iteration 88: trace = 2.453957675729486 (0.00138452% change) linmin: converged after 3 iterations. iteration 89: trace = 2.453919105337812 (0.00157178% change) linmin: converged after 3 iterations. iteration 90: trace = 2.453894765666868 (0.000991874% change) linmin: converged after 3 iterations. iteration 91: trace = 2.453860558423873 (0.00139401% change) linmin: converged after 8 iterations. iteration 92: trace = 2.453827718847833 (0.00133829% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453820520228431 (0.000293363% change) large trace change predicted (0.0012795%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789125656583 (0.00127942% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782208389057 (0.000281902% change) large trace change predicted (0.000821867%) linmin: converged after 9 iterations. iteration 96: trace = 2.453762056591692 (0.000821258% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746621833555 (0.000629026% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453733876569923 (0.000519422% change) linmin: converged after 4 iterations. iteration 99: trace = 2.453727927186228 (0.000242463% change) large trace change predicted (0.000528107%) linmin: converged after 3 iterations. iteration 100: trace = 2.453714967246186 (0.000528175% change) linmin: converged after 5 iterations. iteration 101: trace = 2.453708573247182 (0.000260585% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701328043244 (0.000295276% change) large trace change predicted (0.000652014%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685336416689 (0.000651737% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674477440748 (0.000442559% change) large trace change predicted (0.000944598%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651310760798 (0.000944167% change) large trace change predicted (0.00209454%) linmin: converged after 3 iterations. iteration 106: trace = 2.453599753774643 (0.00210126% change) linmin: converged after 4 iterations. iteration 107: trace = 2.453583075915976 (0.000679733% change) large trace change predicted (0.00176147%) linmin: converged after 3 iterations. iteration 108: trace = 2.453539678785218 (0.00176874% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478007402722 (0.0025136% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453464864715048 (0.000535677% change) large trace change predicted (0.00221893%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410337713387 (0.00222247% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453385788613682 (0.00100062% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376424245192 (0.000381692% change) large trace change predicted (0.00112639%) linmin: converged after 4 iterations. iteration 114: trace = 2.4533487894745 (0.0011264% change) linmin: converged after 5 iterations. iteration 115: trace = 2.453338550721668 (0.000417339% change) linmin: converged after 4 iterations. iteration 116: trace = 2.45332851289534 (0.00040915% change) linmin: converged after 4 iterations. iteration 117: trace = 2.453315637569366 (0.000524812% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453302084406801 (0.000552444% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296041897828 (0.000246301% change) large trace change predicted (0.000595239%) linmin: converged after 5 iterations. iteration 120: trace = 2.453281436177782 (0.000595353% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275626054026 (0.000236831% change) large trace change predicted (0.000475849%) linmin: converged after 3 iterations. iteration 122: trace = 2.453263957956227 (0.000475614% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247206640003 (0.00068282% change) linmin: converged after 5 iterations. iteration 124: trace = 2.4532369018912 (0.000420046% change) large trace change predicted (0.00104087%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211321034278 (0.00104274% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161765887431 (0.00202003% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137652708171 (0.000982948% change) large trace change predicted (0.00307938%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061822884584 (0.00309118% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452971006398917 (0.00370224% change) linmin: converged after 6 iterations. iteration 130: trace = 2.452952254842167 (0.000764446% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452919712898742 (0.00132665% change) linmin: converged after 3 iterations. iteration 132: trace = 2.452897155151815 (0.000919633% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890403219492 (0.000275264% change) large trace change predicted (0.00128061%) linmin: converged after 3 iterations. iteration 134: trace = 2.452858975285759 (0.00128127% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842354207162 (0.000677623% change) linmin: converged after 4 iterations. iteration 136: trace = 2.452828726632519 (0.000555585% change) linmin: converged after 13 iterations. iteration 137: trace = 2.452814365813583 (0.000585482% change) linmin: converged after 5 iterations. iteration 138: trace = 2.452798010728448 (0.000666791% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452782808691813 (0.000619785% change) resetting CG direction... linmin: converged after 23 iterations. iteration 140: trace = 2.452772685792928 (0.000412712% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765395399858 (0.000297231% change) linmin: converged after 3 iterations. iteration 142: trace = 2.45275729218608 (0.000330371% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452750616222772 (0.000272182% change) linmin: converged after 4 iterations. iteration 144: trace = 2.45274019343002 (0.000424944% change) linmin: converged after 4 iterations. iteration 145: trace = 2.452727674745544 (0.000510397% change) linmin: converged after 11 iterations. iteration 146: trace = 2.452721656760177 (0.000245359% change) large trace change predicted (0.000699743%) linmin: converged after 4 iterations. iteration 147: trace = 2.452704495449094 (0.000699687% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683725519203 (0.000846821% change) linmin: converged after 3 iterations. iteration 149: trace = 2.452675621725795 (0.000330406% change) large trace change predicted (0.000953176%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652298519791 (0.000950934% change) linmin: converged after 4 iterations. iteration 151: trace = 2.452626366313796 (0.00105732% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452611279873446 (0.000615116% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596730718839 (0.000593213% change) linmin: converged after 5 iterations. iteration 154: trace = 2.452581669438788 (0.000614097% change) linmin: converged after 5 iterations. iteration 155: trace = 2.452577856547584 (0.000155465% change) large trace change predicted (0.000384101%) linmin: converged after 3 iterations. iteration 156: trace = 2.45256843861684 (0.000384002% change) linmin: converged after 4 iterations. iteration 157: trace = 2.452559773524129 (0.000353307% change) linmin: converged after 3 iterations. iteration 158: trace = 2.452557515867217 (9.20531e-05% change) large trace change predicted (0.00027462%) linmin: converged after 5 iterations. iteration 159: trace = 2.452550781336789 (0.000274593% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546365475172 (0.000180052% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544616684979 (7.13051e-05% change) large trace change predicted (0.000198658%) linmin: converged after 4 iterations. iteration 162: trace = 2.452539744695685 (0.000198651% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452535280813455 (0.000182011% change) linmin: converged after 3 iterations. iteration 164: trace = 2.452531455010856 (0.000155994% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452525921917586 (0.000225608% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452516349772235 (0.000390298% change) linmin: converged after 8 iterations. iteration 167: trace = 2.452512765244558 (0.000146157% change) large trace change predicted (0.00078259%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493545589532 (0.000783675% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452486396645581 (0.000291497% change) linmin: converged after 3 iterations. iteration 170: trace = 2.452472434592653 (0.000569304% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455755997474 (0.000680075% change) linmin: converged after 7 iterations. iteration 172: trace = 2.452447531131361 (0.000335373% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452434975431282 (0.000511967% change) linmin: converged after 3 iterations. iteration 174: trace = 2.45242200728527 (0.000528788% change) linmin: converged after 3 iterations. iteration 175: trace = 2.45241858483882 (0.000139554% change) large trace change predicted (0.000378763%) linmin: converged after 5 iterations. iteration 176: trace = 2.452409295369862 (0.000378789% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400124097644 (0.000373971% change) linmin: converged after 5 iterations. iteration 178: trace = 2.452397754515121 (9.6623e-05% change) large trace change predicted (0.000258642%) linmin: converged after 3 iterations. iteration 179: trace = 2.452391408360021 (0.000258774% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387093717165 (0.000175936% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452385875558594 (4.96724e-05% change) large trace change predicted (0.000174837%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381587913276 (0.000174836% change) linmin: converged after 5 iterations. iteration 183: trace = 2.452378163218305 (0.000139648% change) linmin: converged after 4 iterations. iteration 184: trace = 2.452377077177472 (4.42852e-05% change) large trace change predicted (0.000163793%) linmin: converged after 3 iterations. iteration 185: trace = 2.45237306038176 (0.000163792% change) linmin: converged after 5 iterations. iteration 186: trace = 2.452368915540915 (0.000169014% change) linmin: converged after 3 iterations. iteration 187: trace = 2.452366972471082 (7.92324e-05% change) large trace change predicted (0.000417195%) linmin: converged after 5 iterations. iteration 188: trace = 2.452356742347672 (0.000417154% change) linmin: converged after 4 iterations. iteration 189: trace = 2.452350274925757 (0.000263723% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452346019601535 (0.00017352% change) large trace change predicted (0.000563875%) linmin: converged after 4 iterations. iteration 191: trace = 2.45233219689399 (0.000563654% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452328564092399 (0.000148137% change) large trace change predicted (0.000425597%) linmin: converged after 5 iterations. iteration 193: trace = 2.452318131497511 (0.000425417% change) linmin: converged after 3 iterations. iteration 194: trace = 2.452310475811884 (0.000312182% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452305578775362 (0.000199691% change) linmin: converged after 5 iterations. iteration 196: trace = 2.452300398700505 (0.000211233% change) linmin: converged after 3 iterations. iteration 197: trace = 2.452293979023771 (0.000261782% change) linmin: converged after 5 iterations. iteration 198: trace = 2.452292791369311 (4.84304e-05% change) large trace change predicted (0.000208029%) linmin: converged after 16 iterations. iteration 199: trace = 2.452287690344149 (0.000208011% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285325398306 (9.64384e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284168227515 (4.71875e-05% change) large trace change predicted (0.000115524%) linmin: converged after 5 iterations. iteration 202: trace = 2.452281335177655 (0.000115527% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278441713862 (0.000117991% change) linmin: converged after 3 iterations. iteration 204: trace = 2.45227736099465 (4.407e-05% change) large trace change predicted (0.000112368%) linmin: converged after 3 iterations. iteration 205: trace = 2.452274604727281 (0.000112396% change) linmin: converged after 3 iterations. iteration 206: trace = 2.452269538248404 (0.000206603% change) linmin: converged after 3 iterations. iteration 207: trace = 2.452267779647424 (7.17132e-05% change) large trace change predicted (0.000296894%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260494103233 (0.000297095% change) linmin: converged after 3 iterations. iteration 209: trace = 2.452252208663224 (0.00033787% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452248008956005 (0.000171259% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452240275452954 (0.000315364% change) linmin: converged after 3 iterations. iteration 212: trace = 2.45223817219689 (8.57688e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452235000952971 (0.00012932% change) linmin: converged after 3 iterations. iteration 214: trace = 2.452232058817625 (0.000119978% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452230834843691 (4.99127e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.452228592006744 (9.14611e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.452226257838923 (9.51856e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452225348029006 (3.71014e-05% change) large trace change predicted (9.42053e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.452223037312575 (9.42294e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.452220071119564 (0.000120959% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452218861341579 (4.9334e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452216971135209 (7.70815e-05% change) large trace change predicted (0.000173092%) linmin: converged after 4 iterations. iteration 223: trace = 2.452212724553487 (0.000173173% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452211296201514 (5.82475e-05% change) large trace change predicted (0.000216922%) linmin: converged after 3 iterations. iteration 225: trace = 2.452205972212893 (0.00021711% change) linmin: converged after 3 iterations. iteration 226: trace = 2.452200103706269 (0.000239316% change) linmin: converged after 3 iterations. iteration 227: trace = 2.452198160594831 (7.92395e-05% change) large trace change predicted (0.000196866%) linmin: converged after 5 iterations. iteration 228: trace = 2.452193332513899 (0.000196888% change) linmin: converged after 3 iterations. iteration 229: trace = 2.452185493434579 (0.000319677% change) linmin: converged after 7 iterations. iteration 230: trace = 2.452182587012718 (0.000118524% change) linmin: converged after 3 iterations. iteration 231: trace = 2.452178170444922 (0.000180108% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452172648520758 (0.000225185% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452171750952067 (3.6603e-05% change) large trace change predicted (0.000171732%) linmin: converged after 3 iterations. iteration 234: trace = 2.452167538289542 (0.000171793% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452165411388567 (8.67356e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.452164432984771 (3.98996e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452162834356464 (6.51926e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.452159680130473 (0.00012863% change) linmin: converged after 3 iterations. iteration 239: trace = 2.452158982868194 (2.84346e-05% change) large trace change predicted (0.000127148%) linmin: converged after 3 iterations. iteration 240: trace = 2.452155864939209 (0.00012715% change) linmin: converged after 3 iterations. iteration 241: trace = 2.452153169060617 (0.000109939% change) linmin: converged after 2 iterations. iteration 242: trace = 2.452152162530433 (4.10468e-05% change) large trace change predicted (0.000166597%) linmin: converged after 3 iterations. iteration 243: trace = 2.452148077716575 (0.000166581% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452145251466983 (0.000115256% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452142379119272 (0.000117136% change) linmin: converged after 3 iterations. iteration 246: trace = 2.452137145318741 (0.000213438% change) linmin: converged after 7 iterations. iteration 247: trace = 2.452130004577425 (0.000291205% change) linmin: converged after 5 iterations. iteration 248: trace = 2.452126721383598 (0.000133892% change) large trace change predicted (0.00046384%) linmin: converged after 4 iterations. iteration 249: trace = 2.452115359716229 (0.00046334% change) linmin: converged after 5 iterations. iteration 250: trace = 2.452110337826784 (0.000204798% change) linmin: converged after 3 iterations. iteration 251: trace = 2.452104153339439 (0.000252211% change) linmin: converged after 5 iterations. iteration 252: trace = 2.45210021227004 (0.000160722% change) linmin: converged after 3 iterations. iteration 253: trace = 2.452096801061738 (0.000139114% change) linmin: converged after 7 iterations. iteration 254: trace = 2.452095385908803 (5.7712e-05% change) large trace change predicted (0.000116202%) linmin: converged after 3 iterations. iteration 255: trace = 2.452092536748121 (0.000116193% change) linmin: converged after 5 iterations. iteration 256: trace = 2.452091302389677 (5.0339e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.452090451081947 (3.47176e-05% change) large trace change predicted (0.000102032%) linmin: converged after 5 iterations. iteration 258: trace = 2.452087949313226 (0.000102026% change) linmin: converged after 3 iterations. iteration 259: trace = 2.452086939617739 (4.1177e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.452085431025931 (6.15228e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.452083265529338 (8.83125e-05% change) linmin: converged after 4 iterations. iteration 262: trace = 2.452081955124759 (5.34405e-05% change) large trace change predicted (0.000159706%) linmin: converged after 4 iterations. iteration 263: trace = 2.452078036446633 (0.00015981% change) linmin: converged after 3 iterations. iteration 264: trace = 2.452071941924803 (0.000248545% change) linmin: converged after 3 iterations. iteration 265: trace = 2.45207031261677 (6.64462e-05% change) large trace change predicted (0.000232871%) linmin: converged after 3 iterations. iteration 266: trace = 2.452064598146058 (0.000233047% change) linmin: converged after 3 iterations. iteration 267: trace = 2.452056860430933 (0.00031556% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452054088242321 (0.000113056% change) large trace change predicted (0.000291588%) linmin: converged after 3 iterations. iteration 269: trace = 2.452046925458938 (0.000292114% change) linmin: converged after 3 iterations. iteration 270: trace = 2.452040396333186 (0.000266273% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452038795562982 (6.52832e-05% change) large trace change predicted (0.000215397%) linmin: converged after 3 iterations. iteration 272: trace = 2.45203350988445 (0.000215563% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452029327298726 (0.000170576% change) linmin: converged after 2 iterations. iteration 274: trace = 2.452027922186328 (5.73041e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452026012810838 (7.78693e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.452024347502622 (6.79156e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452022947587262 (5.70922e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.452020888527023 (8.3974e-05% change) large trace change predicted (0.000918728%) linmin: converged after 3 iterations. iteration 279: trace = 2.451998351961683 (0.000919106% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.45199054501488 (0.000318392% change) linmin: converged after 3 iterations. iteration 281: trace = 2.451984723238811 (0.000237431% change) linmin: converged after 3 iterations. iteration 282: trace = 2.451981346868355 (0.0001377% change) linmin: converged after 3 iterations. iteration 283: trace = 2.451979358987821 (8.10724e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.45197797405045 (5.64824e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.451976269033241 (6.95364e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.45197528079121 (4.03039e-05% change) large trace change predicted (9.32694e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.451972995025498 (9.32214e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451971795944266 (4.89027e-05% change) large trace change predicted (0.000101112%) linmin: converged after 4 iterations. iteration 289: trace = 2.451969317413687 (0.000101083% change) linmin: converged after 5 iterations. iteration 290: trace = 2.451966777383068 (0.000103592% change) linmin: converged after 4 iterations. iteration 291: trace = 2.451965299736711 (6.02637e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.451962405191795 (0.00011805% change) linmin: converged after 9 iterations. iteration 293: trace = 2.451957515495198 (0.00019942% change) linmin: converged after 3 iterations. iteration 294: trace = 2.451956168896176 (5.49194e-05% change) linmin: converged after 6 iterations. iteration 295: trace = 2.451953499907328 (0.000108851% change) linmin: converged after 5 iterations. iteration 296: trace = 2.451950924855269 (0.00010502% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451949387012005 (6.27192e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451947004961095 (9.71493e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.451944739991689 (9.23744e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451943795912072 (3.85033e-05% change) linmin: converged after 4 iterations. iteration 301: trace = 2.451942205099462 (6.48797e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.451940655751358 (6.31886e-05% change) linmin: converged after 4 iterations. iteration 303: trace = 2.451940328704894 (1.33383e-05% change) large trace change predicted (4.62217e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451939195383455 (4.62214e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.45193828612205 (3.70834e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.451937911347075 (1.52848e-05% change) large trace change predicted (5.32136e-05%) linmin: converged after 4 iterations. iteration 307: trace = 2.451936606389134 (5.32215e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451935855771695 (3.06133e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.45193512291183 (2.9889e-05% change) large trace change predicted (7.637e-05%) linmin: converged after 3 iterations. iteration 310: trace = 2.451933250402943 (7.63686e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451930896520437 (9.60011e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.451929779539932 (4.55551e-05% change) large trace change predicted (0.000126301%) linmin: converged after 3 iterations. iteration 313: trace = 2.451926679215202 (0.000126444% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451924749698122 (7.86939e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.451923691344052 (4.31642e-05% change) large trace change predicted (0.000116156%) linmin: converged after 3 iterations. iteration 316: trace = 2.451920840211777 (0.000116282% change) linmin: converged after 3 iterations. iteration 317: trace = 2.45191917154298 (6.80556e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.451916596019692 (0.000105041% change) linmin: converged after 3 iterations. iteration 319: trace = 2.451914255754255 (9.54464e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.451913515301671 (3.0199e-05% change) linmin: converged after 5 iterations. iteration 321: trace = 2.451912511534442 (4.09381e-05% change) linmin: converged after 4 iterations. iteration 322: trace = 2.45191167443255 (3.41408e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.451911456962904 (8.86939e-06% change) linmin: converged after 12 iterations. iteration 324: trace = 2.451911045588176 (1.67777e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.45191033331511 (2.90497e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.451910196383412 (5.58469e-06% change) large trace change predicted (4.19625e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451909167655684 (4.19562e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451908483146512 (2.79174e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451907819340421 (2.7073e-05% change) large trace change predicted (7.2265e-05%) linmin: converged after 5 iterations. iteration 330: trace = 2.451906048355264 (7.22289e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.45190314405042 (0.000118451% change) linmin: converged after 7 iterations. iteration 332: trace = 2.451902503977826 (2.61051e-05% change) large trace change predicted (9.339e-05%) linmin: converged after 4 iterations. iteration 333: trace = 2.451900214728388 (9.33663e-05% change) linmin: converged after 4 iterations. iteration 334: trace = 2.45189922730283 (4.02719e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451898239333817 (4.0294e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451896751513313 (6.06804e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.451895680200435 (4.36932e-05% change) linmin: converged after 5 iterations. iteration 338: trace = 2.451894925442756 (3.07826e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.451894000453523 (3.77255e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.451893430342508 (2.32519e-05% change) linmin: converged after 5 iterations. iteration 341: trace = 2.451893044248151 (1.57468e-05% change) linmin: converged after 4 iterations. iteration 342: trace = 2.451892356778686 (2.80383e-05% change) linmin: converged after 2 iterations. iteration 343: trace = 2.451892190271717 (6.79096e-06% change) large trace change predicted (1.967e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451891707957117 (1.96711e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451891286371948 (1.71943e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.45189101298523 (1.115e-05% change) large trace change predicted (3.13967e-05%) linmin: converged after 3 iterations. iteration 347: trace = 2.451890243043886 (3.14019e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.45188907649992 (4.75773e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451888645461833 (1.75798e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.451888330923096 (1.28284e-05% change) linmin: converged after 2 iterations. iteration 351: trace = 2.451887786113816 (2.222e-05% change) linmin: converged after 13 iterations. iteration 352: trace = 2.451886978799834 (3.29262e-05% change) linmin: converged after 4 iterations. iteration 353: trace = 2.451886708041845 (1.10428e-05% change) large trace change predicted (2.21454e-05%) linmin: converged after 5 iterations. iteration 354: trace = 2.451886165006065 (2.21477e-05% change) linmin: converged after 4 iterations. iteration 355: trace = 2.451885796036716 (1.50484e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.451885640781183 (6.33209e-06% change) large trace change predicted (2.51124e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451885024999666 (2.51146e-05% change) linmin: converged after 14 iterations. iteration 358: trace = 2.451884810015776 (8.76811e-06% change) large trace change predicted (2.43358e-05%) linmin: converged after 3 iterations. iteration 359: trace = 2.451884213238111 (2.43396e-05% change) linmin: converged after 3 iterations. iteration 360: trace = 2.451883566476701 (2.63781e-05% change) linmin: converged after 3 iterations. iteration 361: trace = 2.451883088371503 (1.94995e-05% change) linmin: converged after 4 iterations. iteration 362: trace = 2.451882533340515 (2.26369e-05% change) linmin: converged after 3 iterations. iteration 363: trace = 2.45188151550132 (4.15126e-05% change) linmin: converged after 4 iterations. iteration 364: trace = 2.451881087247299 (1.74663e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.451880268128535 (3.34078e-05% change) linmin: converged after 5 iterations. iteration 366: trace = 2.451878962027061 (5.32694e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451878264009651 (2.84687e-05% change) linmin: converged after 4 iterations. iteration 368: trace = 2.451877076881841 (4.84171e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.451875679350539 (5.69984e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451874683335261 (4.06226e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.451874093099416 (2.40728e-05% change) linmin: converged after 3 iterations. iteration 372: trace = 2.45187292194318 (4.77658e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.45187274615112 (7.16971e-06% change) large trace change predicted (2.37197e-05%) linmin: converged after 3 iterations. iteration 374: trace = 2.451872164480159 (2.37235e-05% change) linmin: converged after 2 iterations. iteration 375: trace = 2.451871765771627 (1.62614e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.451871500347898 (1.08254e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451871148466719 (1.43515e-05% change) linmin: converged after 2 iterations. iteration 378: trace = 2.45187067153788 (1.94516e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.451870226175552 (1.81642e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451869856402464 (1.50813e-05% change) large trace change predicted (4.68151e-05%) linmin: converged after 3 iterations. iteration 381: trace = 2.451868708958859 (4.67987e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.45186832252943 (1.57606e-05% change) large trace change predicted (4.32787e-05%) linmin: converged after 3 iterations. iteration 383: trace = 2.451867261651913 (4.32681e-05% change) linmin: converged after 3 iterations. iteration 384: trace = 2.451866236096465 (4.18275e-05% change) linmin: converged after 3 iterations. iteration 385: trace = 2.451865725222119 (2.08361e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.451864719801825 (4.10063e-05% change) large trace change predicted (8.74462e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.451862576998816 (8.73949e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451861818660634 (3.09291e-05% change) large trace change predicted (6.92149e-05%) linmin: converged after 11 iterations. iteration 389: trace = 2.451860121923362 (6.9202e-05% change) linmin: converged after 5 iterations. iteration 390: trace = 2.451859092342315 (4.19918e-05% change) linmin: converged after 4 iterations. iteration 391: trace = 2.451858736859451 (1.44985e-05% change) large trace change predicted (3.74821e-05%) linmin: converged after 5 iterations. iteration 392: trace = 2.451857818062969 (3.74735e-05% change) linmin: converged after 10 iterations. iteration 393: trace = 2.451857427314417 (1.59368e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.451857042235628 (1.57056e-05% change) linmin: converged after 3 iterations. iteration 395: trace = 2.451856716590745 (1.32816e-05% change) linmin: converged after 2 iterations. iteration 396: trace = 2.451856355493734 (1.47275e-05% change) linmin: converged after 3 iterations. iteration 397: trace = 2.451856184993922 (6.95391e-06% change) large trace change predicted (2.69802e-05%) linmin: converged after 4 iterations. iteration 398: trace = 2.451855523423434 (2.69824e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451855219354473 (1.24016e-05% change) linmin: converged after 4 iterations. iteration 400: trace = 2.451854705833159 (2.09442e-05% change) large trace change predicted (4.2258e-05%) linmin: converged after 3 iterations. iteration 401: trace = 2.451853669193406 (4.22798e-05% change) linmin: converged after 3 iterations. iteration 402: trace = 2.451852576377293 (4.4571e-05% change) linmin: converged after 3 iterations. iteration 403: trace = 2.451852141568628 (1.77339e-05% change) large trace change predicted (5.04759e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451850903783805 (5.04837e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451849347873785 (6.34586e-05% change) linmin: converged after 4 iterations. iteration 406: trace = 2.451848813760356 (2.17841e-05% change) large trace change predicted (6.16321e-05%) linmin: converged after 3 iterations. iteration 407: trace = 2.451847301674858 (6.16713e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451846386429941 (3.73288e-05% change) linmin: converged after 5 iterations. iteration 409: trace = 2.451845893404406 (2.01083e-05% change) linmin: converged after 4 iterations. iteration 410: trace = 2.451845149170684 (3.0354e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.451844527753382 (2.53449e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451844112649299 (1.69303e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451843464841136 (2.64213e-05% change) linmin: converged after 3 iterations. iteration 414: trace = 2.451843228501694 (9.63926e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.451842876791183 (1.43447e-05% change) linmin: converged after 2 iterations. iteration 416: trace = 2.451842305764166 (2.32897e-05% change) linmin: converged after 2 iterations. iteration 417: trace = 2.45184183594611 (1.91618e-05% change) large trace change predicted (4.09672e-05%) linmin: converged after 3 iterations. iteration 418: trace = 2.451840831538401 (4.09654e-05% change) large trace change predicted (0.000113064%) linmin: converged after 3 iterations. iteration 419: trace = 2.451838059857291 (0.000113045% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.451836802239056 (5.12929e-05% change) linmin: converged after 3 iterations. iteration 421: trace = 2.451835888179434 (3.72806e-05% change) linmin: converged after 3 iterations. iteration 422: trace = 2.45183510187364 (3.20701e-05% change) linmin: converged after 5 iterations. iteration 423: trace = 2.451834903524928 (8.08981e-06% change) large trace change predicted (2.2321e-05%) linmin: converged after 3 iterations. iteration 424: trace = 2.451834356258106 (2.23207e-05% change) linmin: converged after 3 iterations. iteration 425: trace = 2.451833936232291 (1.71311e-05% change) linmin: converged after 5 iterations. iteration 426: trace = 2.451833725541936 (8.59317e-06% change) large trace change predicted (2.24507e-05%) linmin: converged after 4 iterations. iteration 427: trace = 2.451833175164466 (2.24476e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.451832585658309 (2.40435e-05% change) linmin: converged after 2 iterations. iteration 429: trace = 2.451832386716145 (8.11402e-06% change) large trace change predicted (2.47645e-05%) linmin: converged after 4 iterations. iteration 430: trace = 2.451831779632426 (2.47604e-05% change) linmin: converged after 18 iterations. iteration 431: trace = 2.451831280049174 (2.03759e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451831101099525 (7.29861e-06% change) large trace change predicted (2.90742e-05%) linmin: converged after 3 iterations. iteration 433: trace = 2.451830388448752 (2.90661e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451829803948077 (2.38394e-05% change) linmin: converged after 5 iterations. iteration 435: trace = 2.451829562971085 (9.82846e-06% change) large trace change predicted (3.00289e-05%) linmin: converged after 5 iterations. iteration 436: trace = 2.45182882678165 (3.00261e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451828148207865 (2.76762e-05% change) linmin: converged after 3 iterations. iteration 438: trace = 2.451827875798315 (1.11105e-05% change) large trace change predicted (3.80145e-05%) linmin: converged after 3 iterations. iteration 439: trace = 2.451826944137457 (3.79986e-05% change) linmin: converged after 2 iterations. iteration 440: trace = 2.45182638411395 (2.28411e-05% change) linmin: converged after 3 iterations. iteration 441: trace = 2.45182619249964 (7.81517e-06% change) large trace change predicted (2.05918e-05%) linmin: converged after 3 iterations. iteration 442: trace = 2.451825687655966 (2.05905e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451825525286388 (6.6224e-06% change) linmin: converged after 11 iterations. iteration 444: trace = 2.451825235053076 (1.18374e-05% change) linmin: converged after 2 iterations. iteration 445: trace = 2.451825064402393 (6.96015e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451824872293721 (7.83533e-06% change) linmin: converged after 3 iterations. iteration 447: trace = 2.451824741815942 (5.32166e-06% change) large trace change predicted (1.14512e-05%) linmin: converged after 4 iterations. iteration 448: trace = 2.451824461033118 (1.1452e-05% change) linmin: converged after 3 iterations. iteration 449: trace = 2.451824236416688 (9.1612e-06% change) linmin: converged after 4 iterations. iteration 450: trace = 2.451824047543579 (7.70337e-06% change) large trace change predicted (2.52104e-05%) linmin: converged after 5 iterations. iteration 451: trace = 2.451823429227002 (2.52186e-05% change) linmin: converged after 3 iterations. iteration 452: trace = 2.451822994924551 (1.77134e-05% change) linmin: converged after 4 iterations. iteration 453: trace = 2.45182265538113 (1.38486e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.45182208088582 (2.34314e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451821629466824 (1.84116e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451821350072887 (1.13954e-05% change) large trace change predicted (4.11259e-05%) linmin: converged after 3 iterations. iteration 457: trace = 2.451820340848675 (4.11622e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451820066147251 (1.1204e-05% change) linmin: converged after 4 iterations. iteration 459: trace = 2.451819524980338 (2.20721e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451819254250182 (1.1042e-05% change) linmin: converged after 2 iterations. iteration 461: trace = 2.451819153543073 (4.10744e-06% change) linmin: converged after 3 iterations. iteration 462: trace = 2.451818969964108 (7.48746e-06% change) linmin: converged after 3 iterations. iteration 463: trace = 2.451818820446352 (6.09824e-06% change) linmin: converged after 6 iterations. iteration 464: trace = 2.451818749525268 (2.89259e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.451818645266623 (4.2523e-06% change) linmin: converged after 5 iterations. iteration 466: trace = 2.451818446932412 (8.08927e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451818374217233 (2.96577e-06% change) large trace change predicted (1.217e-05%) linmin: converged after 4 iterations. iteration 468: trace = 2.451818075842484 (1.21695e-05% change) linmin: converged after 3 iterations. iteration 469: trace = 2.451817834774614 (9.83221e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.451817683195464 (6.18232e-06% change) large trace change predicted (2.20728e-05%) linmin: converged after 5 iterations. iteration 471: trace = 2.451817142125174 (2.20681e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451816571739108 (2.32638e-05% change) linmin: converged after 3 iterations. iteration 473: trace = 2.451816448063041 (5.04426e-06% change) large trace change predicted (1.52574e-05%) linmin: converged after 3 iterations. iteration 474: trace = 2.451816073999507 (1.52566e-05% change) linmin: converged after 15 iterations. iteration 475: trace = 2.451815763134719 (1.2679e-05% change) linmin: converged after 2 iterations. iteration 476: trace = 2.451815659282706 (4.23572e-06% change) large trace change predicted (1.19451e-05%) linmin: converged after 7 iterations. iteration 477: trace = 2.451815366431803 (1.19442e-05% change) linmin: converged after 3 iterations. iteration 478: trace = 2.451815078593219 (1.17398e-05% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451814973262278 (4.29604e-06% change) large trace change predicted (9.14535e-06%) linmin: converged after 4 iterations. iteration 480: trace = 2.451814749041857 (9.14508e-06% change) linmin: converged after 2 iterations. iteration 481: trace = 2.451814530657936 (8.90703e-06% change) linmin: converged after 4 iterations. iteration 482: trace = 2.451814486541073 (1.79936e-06% change) large trace change predicted (7.28226e-06%) linmin: converged after 2 iterations. iteration 483: trace = 2.451814307988703 (7.28246e-06% change) linmin: converged after 2 iterations. iteration 484: trace = 2.451814208458723 (4.05944e-06% change) linmin: converged after 2 iterations. iteration 485: trace = 2.451814144982895 (2.58893e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.451814035622898 (4.46037e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.451813894952913 (5.73738e-06% change) linmin: converged after 5 iterations. iteration 488: trace = 2.451813822614755 (2.95039e-06% change) large trace change predicted (7.01789e-06%) linmin: converged after 2 iterations. iteration 489: trace = 2.451813650536157 (7.01842e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 490: trace = 2.451813523915536 (5.16437e-06% change) linmin: converged after 4 iterations. iteration 491: trace = 2.45181348472944 (1.59825e-06% change) large trace change predicted (6.41612e-06%) linmin: converged after 2 iterations. iteration 492: trace = 2.451813327417933 (6.41613e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.451813257166719 (2.86528e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.451813199099417 (2.36834e-06% change) large trace change predicted (5.04613e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.451813075375948 (5.0462e-06% change) linmin: converged after 2 iterations. iteration 496: trace = 2.451812943177815 (5.39185e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.45181287691892 (2.70244e-06% change) large trace change predicted (7.94475e-06%) linmin: converged after 3 iterations. iteration 498: trace = 2.451812682118458 (7.94516e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.451812620045383 (2.53172e-06% change) large trace change predicted (7.73153e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.451812430478238 (7.73171e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.451812233944014 (8.01588e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.451812096411372 (5.60943e-06% change) linmin: converged after 3 iterations. iteration 503: trace = 2.451811921826382 (7.12065e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.451811665466076 (1.0456e-05% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451811458485926 (8.44193e-06% change) linmin: converged after 3 iterations. iteration 506: trace = 2.451811317711767 (5.74164e-06% change) large trace change predicted (1.61367e-05%) linmin: converged after 3 iterations. iteration 507: trace = 2.451810921999031 (1.61396e-05% change) linmin: converged after 4 iterations. iteration 508: trace = 2.451810794715364 (5.19141e-06% change) large trace change predicted (1.21396e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451810497040879 (1.2141e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451810225806673 (1.10626e-05% change) linmin: converged after 4 iterations. iteration 511: trace = 2.451810054042019 (7.00563e-06% change) linmin: converged after 4 iterations. iteration 512: trace = 2.451809905313819 (6.06606e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.451809746518614 (6.47665e-06% change) linmin: converged after 3 iterations. iteration 514: trace = 2.451809711419777 (1.43155e-06% change) large trace change predicted (2.87194e-06%) linmin: converged after 3 iterations. iteration 515: trace = 2.451809641000134 (2.87215e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.451809532805056 (4.41287e-06% change) linmin: converged after 4 iterations. iteration 517: trace = 2.451809503211308 (1.20702e-06% change) large trace change predicted (4.76936e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.451809386276387 (4.76933e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.451809211025523 (7.14782e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.451809051213694 (6.51812e-06% change) linmin: converged after 5 iterations. iteration 521: trace = 2.451808741095395 (1.26486e-05% change) linmin: converged after 9 iterations. iteration 522: trace = 2.451808277524067 (1.89073e-05% change) linmin: converged after 4 iterations. iteration 523: trace = 2.451807994584457 (1.154e-05% change) linmin: converged after 7 iterations. iteration 524: trace = 2.451807858267107 (5.55987e-06% change) large trace change predicted (1.41317e-05%) linmin: converged after 5 iterations. iteration 525: trace = 2.451807511873544 (1.41281e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451807340752569 (6.97938e-06% change) linmin: converged after 4 iterations. iteration 527: trace = 2.451807045458184 (1.20439e-05% change) linmin: converged after 4 iterations. iteration 528: trace = 2.451806700335511 (1.40763e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.45180662709436 (2.98723e-06% change) large trace change predicted (5.99562e-06%) linmin: converged after 3 iterations. iteration 530: trace = 2.451806480104853 (5.99515e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451806335061257 (5.91578e-06% change) linmin: converged after 4 iterations. iteration 532: trace = 2.451806304688267 (1.2388e-06% change) large trace change predicted (3.11323e-06%) linmin: converged after 7 iterations. iteration 533: trace = 2.451806228358847 (3.11319e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451806120244491 (4.40958e-06% change) linmin: converged after 10 iterations. iteration 535: trace = 2.451806088082995 (1.31175e-06% change) large trace change predicted (6.411e-06%) linmin: converged after 2 iterations. iteration 536: trace = 2.45180593089575 (6.41108e-06% change) linmin: converged after 3 iterations. iteration 537: trace = 2.451805722901581 (8.48331e-06% change) linmin: converged after 4 iterations. iteration 538: trace = 2.451805645844621 (3.14287e-06% change) large trace change predicted (7.66435e-06%) linmin: converged after 4 iterations. iteration 539: trace = 2.451805457912601 (7.66505e-06% change) large trace change predicted (1.70818e-05%) linmin: converged after 3 iterations. iteration 540: trace = 2.451805038882808 (1.70907e-05% change) linmin: converged after 5 iterations. iteration 541: trace = 2.451804943455724 (3.89212e-06% change) large trace change predicted (1.49865e-05%) linmin: converged after 4 iterations. iteration 542: trace = 2.451804575827457 (1.49942e-05% change) linmin: converged after 4 iterations. iteration 543: trace = 2.451804385093476 (7.77933e-06% change) linmin: converged after 4 iterations. iteration 544: trace = 2.451804236222389 (6.0719e-06% change) linmin: converged after 3 iterations. iteration 545: trace = 2.45180398089755 (1.04138e-05% change) linmin: converged after 6 iterations. iteration 546: trace = 2.451803879593896 (4.1318e-06% change) linmin: converged after 5 iterations. iteration 547: trace = 2.451803713951826 (6.75593e-06% change) linmin: converged after 4 iterations. iteration 548: trace = 2.451803504937325 (8.52493e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.45180329713235 (8.4756e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.451803228883641 (2.78361e-06% change) large trace change predicted (7.74711e-06%) linmin: converged after 3 iterations. iteration 551: trace = 2.451803038916936 (7.74804e-06% change) linmin: converged after 6 iterations. iteration 552: trace = 2.451802860693331 (7.26908e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.451802815748854 (1.83312e-06% change) large trace change predicted (5.91327e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.451802670760464 (5.91354e-06% change) linmin: converged after 2 iterations. iteration 555: trace = 2.451802536859856 (5.46131e-06% change) linmin: converged after 2 iterations. iteration 556: trace = 2.45180248407743 (2.1528e-06% change) large trace change predicted (1.02551e-05%) linmin: converged after 2 iterations. iteration 557: trace = 2.451802232630692 (1.02556e-05% change) linmin: converged after 5 iterations. iteration 558: trace = 2.451802003455758 (9.3472e-06% change) large trace change predicted (3.06705e-05%) linmin: converged after 3 iterations. iteration 559: trace = 2.451801251452187 (3.06715e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451800722977409 (2.15546e-05% change) linmin: converged after 2 iterations. iteration 561: trace = 2.45180058090152 (5.79476e-06% change) linmin: converged after 4 iterations. iteration 562: trace = 2.451800302756157 (1.13445e-05% change) linmin: converged after 3 iterations. iteration 563: trace = 2.45180023430819 (2.79174e-06% change) linmin: converged after 2 iterations. iteration 564: trace = 2.451800165614167 (2.80178e-06% change) large trace change predicted (7.91729e-06%) linmin: converged after 3 iterations. iteration 565: trace = 2.451799971523097 (7.91627e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.451799932559478 (1.58918e-06% change) large trace change predicted (4.75739e-06%) linmin: converged after 4 iterations. iteration 567: trace = 2.451799815923215 (4.75717e-06% change) linmin: converged after 4 iterations. iteration 568: trace = 2.451799660799848 (6.32692e-06% change) linmin: converged after 6 iterations. iteration 569: trace = 2.451799617638787 (1.76038e-06% change) large trace change predicted (4.53782e-06%) linmin: converged after 15 iterations. iteration 570: trace = 2.451799506382126 (4.53776e-06% change) linmin: converged after 3 iterations. iteration 571: trace = 2.451799377733184 (5.24712e-06% change) linmin: converged after 6 iterations. iteration 572: trace = 2.451799325213963 (2.14207e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.451799225255288 (4.07695e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451799078497032 (5.98574e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451799019914088 (2.38939e-06% change) large trace change predicted (6.61207e-06%) linmin: converged after 4 iterations. iteration 576: trace = 2.451798857809754 (6.61165e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.451798644977336 (8.68066e-06% change) linmin: converged after 4 iterations. iteration 578: trace = 2.451798580759744 (2.6192e-06% change) large trace change predicted (7.99909e-06%) linmin: converged after 4 iterations. iteration 579: trace = 2.451798384684785 (7.99719e-06% change) linmin: converged after 4 iterations. iteration 580: trace = 2.451798237370997 (6.0084e-06% change) linmin: converged after 12 iterations. iteration 581: trace = 2.451798198795492 (1.57336e-06% change) large trace change predicted (6.7964e-06%) linmin: converged after 3 iterations. iteration 582: trace = 2.451798032187935 (6.79532e-06% change) linmin: converged after 2 iterations. iteration 583: trace = 2.451797988603606 (1.77765e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.451797939241458 (2.0133e-06% change) linmin: converged after 6 iterations. iteration 585: trace = 2.451797892512543 (1.9059e-06% change) linmin: converged after 2 iterations. iteration 586: trace = 2.451797854856946 (1.53584e-06% change) linmin: converged after 2 iterations. iteration 587: trace = 2.451797821006135 (1.38065e-06% change) linmin: converged after 3 iterations. iteration 588: trace = 2.45179776889211 (2.12554e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451797695819555 (2.98037e-06% change) linmin: converged after 2 iterations. iteration 590: trace = 2.451797669291688 (1.08198e-06% change) large trace change predicted (5.18468e-06%) linmin: converged after 4 iterations. iteration 591: trace = 2.451797542151904 (5.18557e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.45179742684564 (4.70293e-06% change) linmin: converged after 3 iterations. iteration 593: trace = 2.451797369877993 (2.32351e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.45179725783655 (4.56977e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.451797165702749 (3.75781e-06% change) linmin: converged after 3 iterations. iteration 596: trace = 2.451797076574439 (3.63522e-06% change) large trace change predicted (8.99287e-06%) linmin: converged after 3 iterations. iteration 597: trace = 2.451796856048614 (8.99446e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451796676084067 (7.34011e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451796633026503 (1.75616e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451796556286179 (3.12996e-06% change) linmin: converged after 2 iterations. iteration 601: trace = 2.451796495460344 (2.48087e-06% change) linmin: converged after 3 iterations. iteration 602: trace = 2.451796480536217 (6.08702e-07% change) large trace change predicted (1.38705e-06%) linmin: converged after 2 iterations. iteration 603: trace = 2.451796446528333 (1.38706e-06% change) linmin: converged after 7 iterations. iteration 604: trace = 2.45179641505782 (1.28357e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.451796406002473 (3.69335e-07% change) large trace change predicted (2.1378e-06%) linmin: converged after 4 iterations. iteration 606: trace = 2.451796353589812 (2.13772e-06% change) linmin: converged after 6 iterations. iteration 607: trace = 2.451796324745821 (1.17644e-06% change) linmin: converged after 4 iterations. iteration 608: trace = 2.451796269079578 (2.27043e-06% change) linmin: converged after 3 iterations. iteration 609: trace = 2.451796217845221 (2.08967e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451796120843056 (3.95637e-06% change) linmin: converged after 4 iterations. iteration 611: trace = 2.4517960786268 (1.72185e-06% change) large trace change predicted (4.96232e-06%) linmin: converged after 3 iterations. iteration 612: trace = 2.451795956970153 (4.96194e-06% change) linmin: converged after 2 iterations. iteration 613: trace = 2.451795896450268 (2.46839e-06% change) linmin: converged after 2 iterations. iteration 614: trace = 2.451795829629598 (2.72538e-06% change) linmin: converged after 3 iterations. iteration 615: trace = 2.451795738694964 (3.7089e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451795690488297 (1.96618e-06% change) linmin: converged after 4 iterations. iteration 617: trace = 2.451795631475994 (2.4069e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451795571882928 (2.43059e-06% change) linmin: converged after 5 iterations. iteration 619: trace = 2.451795518183675 (2.1902e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451795495077759 (9.42408e-07% change) large trace change predicted (2.38442e-06%) linmin: converged after 4 iterations. iteration 621: trace = 2.451795436619645 (2.3843e-06% change) linmin: converged after 4 iterations. iteration 622: trace = 2.451795416924093 (8.03311e-07% change) linmin: converged after 10 iterations. iteration 623: trace = 2.451795390588355 (1.07414e-06% change) linmin: converged after 3 iterations. iteration 624: trace = 2.451795370021586 (8.38845e-07% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451795358339095 (4.76487e-07% change) large trace change predicted (1.06344e-06%) linmin: converged after 2 iterations. iteration 626: trace = 2.451795332265457 (1.06345e-06% change) linmin: converged after 2 iterations. iteration 627: trace = 2.451795293355955 (1.58698e-06% change) linmin: converged after 3 iterations. iteration 628: trace = 2.451795274901591 (7.52688e-07% change) linmin: converged after 2 iterations. iteration 629: trace = 2.451795253839524 (8.59047e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.451795234834271 (7.75157e-07% change) linmin: converged after 2 iterations. iteration 631: trace = 2.451795220373208 (5.89815e-07% change) large trace change predicted (1.23911e-06%) linmin: converged after 2 iterations. iteration 632: trace = 2.451795189992371 (1.23913e-06% change) linmin: converged after 2 iterations. iteration 633: trace = 2.451795168065522 (8.94318e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795155588306 (5.08901e-07% change) linmin: converged after 2 iterations. iteration 635: trace = 2.451795134734195 (8.50565e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.451795111536482 (9.46152e-07% change) linmin: converged after 15 iterations. iteration 637: trace = 2.451795089713388 (8.90086e-07% change) large trace change predicted (2.08304e-06%) linmin: converged after 4 iterations. iteration 638: trace = 2.451795038637294 (2.08321e-06% change) linmin: converged after 4 iterations. iteration 639: trace = 2.45179501701788 (8.81779e-07% change) linmin: converged after 3 iterations. iteration 640: trace = 2.4517949746453 (1.72823e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.451794923693127 (2.07816e-06% change) linmin: converged after 4 iterations. iteration 642: trace = 2.451794891670992 (1.30607e-06% change) linmin: converged after 2 iterations. iteration 643: trace = 2.451794843534641 (1.96331e-06% change) linmin: converged after 4 iterations. iteration 644: trace = 2.451794783403203 (2.45255e-06% change) linmin: converged after 3 iterations. iteration 645: trace = 2.451794755098522 (1.15445e-06% change) large trace change predicted (2.71817e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451794688449028 (2.7184e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.451794599175434 (3.64115e-06% change) linmin: converged after 2 iterations. iteration 648: trace = 2.451794577453926 (8.85943e-07% change) large trace change predicted (3.79725e-06%) linmin: converged after 4 iterations. iteration 649: trace = 2.451794484346512 (3.79752e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451794443385728 (1.67065e-06% change) linmin: converged after 3 iterations. iteration 651: trace = 2.451794411709971 (1.29194e-06% change) linmin: converged after 2 iterations. iteration 652: trace = 2.451794373450789 (1.56046e-06% change) linmin: converged after 3 iterations. iteration 653: trace = 2.451794334086322 (1.60554e-06% change) linmin: converged after 5 iterations. iteration 654: trace = 2.451794325003528 (3.70455e-07% change) large trace change predicted (9.3902e-07%) linmin: converged after 2 iterations. iteration 655: trace = 2.451794301980383 (9.39032e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.451794281381968 (8.40136e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.451794273281838 (3.30376e-07% change) large trace change predicted (1.38936e-06%) linmin: converged after 2 iterations. iteration 658: trace = 2.451794239217479 (1.38936e-06% change) linmin: converged after 4 iterations. iteration 659: trace = 2.451794196979979 (1.72272e-06% change) linmin: converged after 4 iterations. iteration 660: trace = 2.451794174077839 (9.34097e-07% change) large trace change predicted (3.89006e-06%) linmin: converged after 3 iterations. iteration 661: trace = 2.451794078719006 (3.88935e-06% change) linmin: converged after 3 iterations. iteration 662: trace = 2.451793969663241 (4.448e-06% change) linmin: converged after 3 iterations. iteration 663: trace = 2.451793916369914 (2.17365e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.451793857831274 (2.38758e-06% change) linmin: converged after 3 iterations. iteration 665: trace = 2.451793795525621 (2.54123e-06% change) linmin: converged after 5 iterations. iteration 666: trace = 2.451793712155196 (3.40038e-06% change) linmin: converged after 5 iterations. iteration 667: trace = 2.451793686174462 (1.05966e-06% change) large trace change predicted (3.5048e-06%) linmin: converged after 3 iterations. iteration 668: trace = 2.451793600254369 (3.50438e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451793574293541 (1.05885e-06% change) linmin: converged after 3 iterations. iteration 670: trace = 2.451793546002888 (1.15388e-06% change) linmin: converged after 4 iterations. iteration 671: trace = 2.451793515572032 (1.24117e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451793503875632 (4.77055e-07% change) linmin: converged after 2 iterations. iteration 673: trace = 2.451793485970004 (7.30307e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.451793467054818 (7.71484e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.451793457419934 (3.92973e-07% change) large trace change predicted (1.25629e-06%) linmin: converged after 3 iterations. iteration 676: trace = 2.451793426618589 (1.25628e-06% change) large trace change predicted (2.59442e-06%) linmin: converged after 3 iterations. iteration 677: trace = 2.451793363002899 (2.59466e-06% change) linmin: converged after 23 iterations. iteration 678: trace = 2.451793346336039 (6.79782e-07% change) large trace change predicted (2.30329e-06%) linmin: converged after 5 iterations. iteration 679: trace = 2.451793289857383 (2.30357e-06% change) linmin: converged after 4 iterations. iteration 680: trace = 2.451793197317446 (3.77438e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.451793165849893 (1.28345e-06% change) large trace change predicted (3.11826e-06%) linmin: converged after 5 iterations. iteration 682: trace = 2.451793089387463 (3.11863e-06% change) linmin: converged after 11 iterations. iteration 683: trace = 2.451793015509731 (3.01321e-06% change) linmin: converged after 2 iterations. iteration 684: trace = 2.451792991333538 (9.86062e-07% change) large trace change predicted (2.46689e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.451792930848035 (2.46699e-06% change) linmin: converged after 2 iterations. iteration 686: trace = 2.451792884645667 (1.88443e-06% change) linmin: converged after 4 iterations. iteration 687: trace = 2.451792870523298 (5.76002e-07% change) large trace change predicted (1.62473e-06%) linmin: converged after 3 iterations. iteration 688: trace = 2.451792830686345 (1.62481e-06% change) linmin: converged after 3 iterations. iteration 689: trace = 2.451792792117617 (1.57308e-06% change) linmin: converged after 2 iterations. iteration 690: trace = 2.451792751270895 (1.66599e-06% change) linmin: converged after 6 iterations. iteration 691: trace = 2.451792726185072 (1.02316e-06% change) linmin: converged after 3 iterations. iteration 692: trace = 2.45179268747328 (1.57892e-06% change) linmin: converged after 4 iterations. iteration 693: trace = 2.451792676629851 (4.42265e-07% change) large trace change predicted (1.47914e-06%) linmin: converged after 2 iterations. iteration 694: trace = 2.451792640363867 (1.47916e-06% change) linmin: converged after 2 iterations. iteration 695: trace = 2.451792595640606 (1.8241e-06% change) linmin: converged after 7 iterations. iteration 696: trace = 2.451792564460892 (1.27171e-06% change) linmin: converged after 3 iterations. iteration 697: trace = 2.451792521528666 (1.75105e-06% change) large trace change predicted (3.7832e-06%) linmin: converged after 2 iterations. iteration 698: trace = 2.45179242877215 (3.78321e-06% change) large trace change predicted (8.80635e-06%) linmin: converged after 3 iterations. iteration 699: trace = 2.451792212805081 (8.80854e-06% change) resetting CG direction... linmin: converged after 8 iterations. iteration 700: trace = 2.451792056487704 (6.37564e-06% change) linmin: converged after 2 iterations. iteration 701: trace = 2.451791984308645 (2.94393e-06% change) linmin: converged after 16 iterations. iteration 702: trace = 2.451791959404667 (1.01575e-06% change) linmin: converged after 2 iterations. iteration 703: trace = 2.451791919931386 (1.60998e-06% change) linmin: converged after 4 iterations. iteration 704: trace = 2.451791871775055 (1.96413e-06% change) linmin: converged after 2 iterations. iteration 705: trace = 2.451791850368724 (8.73089e-07% change) linmin: converged after 22 iterations. iteration 706: trace = 2.451791835866038 (5.91514e-07% change) large trace change predicted (1.32118e-06%) linmin: converged after 4 iterations. iteration 707: trace = 2.451791803473866 (1.32116e-06% change) linmin: converged after 5 iterations. iteration 708: trace = 2.451791792139377 (4.62294e-07% change) large trace change predicted (1.44937e-06%) linmin: converged after 4 iterations. iteration 709: trace = 2.451791756604186 (1.44936e-06% change) linmin: converged after 4 iterations. iteration 710: trace = 2.451791735880507 (8.45246e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.451791725459254 (4.25046e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.451791705740125 (8.04274e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.451791685204273 (8.37586e-07% change) linmin: converged after 6 iterations. iteration 714: trace = 2.451791675513042 (3.95271e-07% change) large trace change predicted (1.67942e-06%) linmin: converged after 3 iterations. iteration 715: trace = 2.451791634339505 (1.67932e-06% change) linmin: converged after 2 iterations. iteration 716: trace = 2.451791592947035 (1.68825e-06% change) linmin: converged after 10 iterations. iteration 717: trace = 2.451791575552627 (7.09457e-07% change) large trace change predicted (2.05142e-06%) linmin: converged after 4 iterations. iteration 718: trace = 2.451791525260367 (2.05125e-06% change) linmin: converged after 3 iterations. iteration 719: trace = 2.451791475033927 (2.04856e-06% change) linmin: converged after 5 iterations. iteration 720: trace = 2.451791459653728 (6.27305e-07% change) linmin: converged after 4 iterations. iteration 721: trace = 2.451791434805912 (1.01346e-06% change) linmin: converged after 3 iterations. iteration 722: trace = 2.451791400344934 (1.40554e-06% change) linmin: converged after 3 iterations. iteration 723: trace = 2.451791394147441 (2.52774e-07% change) large trace change predicted (9.0709e-07%) linmin: converged after 9 iterations. iteration 724: trace = 2.451791371907404 (9.07093e-07% change) linmin: converged after 2 iterations. iteration 725: trace = 2.451791360155812 (4.79306e-07% change) linmin: converged after 12 iterations. iteration 726: trace = 2.451791355421923 (1.93079e-07% change) large trace change predicted (3.89354e-07%) linmin: converged after 3 iterations. iteration 727: trace = 2.451791345875685 (3.89358e-07% change) linmin: converged after 2 iterations. iteration 728: trace = 2.451791332024301 (5.6495e-07% change) linmin: converged after 2 iterations. iteration 729: trace = 2.451791325995317 (2.45901e-07% change) large trace change predicted (5.50038e-07%) linmin: converged after 4 iterations. iteration 730: trace = 2.451791312508833 (5.50067e-07% change) linmin: converged after 3 iterations. iteration 731: trace = 2.451791290425641 (9.00696e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.451791284404349 (2.45587e-07% change) large trace change predicted (1.40601e-06%) linmin: converged after 3 iterations. iteration 733: trace = 2.451791249927761 (1.40618e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791229040102 (8.51935e-07% change) linmin: converged after 4 iterations. iteration 735: trace = 2.451791216822635 (4.98308e-07% change) large trace change predicted (1.61576e-06%) linmin: converged after 4 iterations. iteration 736: trace = 2.451791177203755 (1.61592e-06% change) linmin: converged after 4 iterations. iteration 737: trace = 2.451791129684828 (1.93813e-06% change) linmin: converged after 2 iterations. iteration 738: trace = 2.451791119352714 (4.21411e-07% change) large trace change predicted (1.72217e-06%) linmin: converged after 3 iterations. iteration 739: trace = 2.451791077123247 (1.72239e-06% change) linmin: converged after 4 iterations. iteration 740: trace = 2.451791058341051 (7.6606e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.45179105235023 (2.44345e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791043566494 (3.58258e-07% change) linmin: converged after 7 iterations. iteration 743: trace = 2.451791035483274 (3.29686e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.451791032150925 (1.35915e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.451791025674912 (2.64134e-07% change) large trace change predicted (5.65474e-07%) linmin: converged after 6 iterations. iteration 746: trace = 2.451791011810841 (5.65467e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.451791008577217 (1.31888e-07% change) large trace change predicted (7.3753e-07%) linmin: converged after 16 iterations. iteration 748: trace = 2.451790990494688 (7.37523e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.451790984506639 (2.44232e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.451790974589813 (4.04473e-07% change) large trace change predicted (8.29229e-07%) linmin: converged after 2 iterations. iteration 751: trace = 2.451790954258735 (8.29234e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.451790929887935 (9.94e-07% change) linmin: converged after 2 iterations. iteration 753: trace = 2.451790922704133 (2.93002e-07% change) large trace change predicted (8.23743e-07%) linmin: converged after 31 iterations. iteration 754: trace = 2.451790902508303 (8.23717e-07% change) linmin: converged after 9 iterations. iteration 755: trace = 2.451790879665382 (9.31683e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451790865530482 (5.76513e-07% change) linmin: converged after 8 iterations. iteration 757: trace = 2.451790850774556 (6.01843e-07% change) linmin: converged after 8 iterations. iteration 758: trace = 2.451790834937315 (6.45946e-07% change) linmin: converged after 5 iterations. iteration 759: trace = 2.451790824554933 (4.23461e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.451790817251281 (2.9789e-07% change) linmin: converged after 10 iterations. iteration 761: trace = 2.451790805540786 (4.7763e-07% change) linmin: converged after 23 iterations. iteration 762: trace = 2.4517908030533 (1.01456e-07% change) large trace change predicted (3.23571e-07%) linmin: converged after 11 iterations. iteration 763: trace = 2.451790795120198 (3.23564e-07% change) linmin: converged after 2 iterations. iteration 764: trace = 2.451790789432223 (2.31993e-07% change) linmin: converged after 2 iterations. iteration 765: trace = 2.451790785148836 (1.74704e-07% change) linmin: converged after 4 iterations. iteration 766: trace = 2.451790780674919 (1.82475e-07% change) linmin: converged after 2 iterations. iteration 767: trace = 2.451790772246673 (3.43759e-07% change) linmin: converged after 4 iterations. iteration 768: trace = 2.451790769059048 (1.30012e-07% change) linmin: converged after 3 iterations. iteration 769: trace = 2.451790763803344 (2.14362e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.451790759382803 (1.80298e-07% change) linmin: converged after 2 iterations. iteration 771: trace = 2.451790757002171 (9.70977e-08% change) large trace change predicted (2.60717e-07%) linmin: converged after 2 iterations. iteration 772: trace = 2.451790750609923 (2.60718e-07% change) linmin: converged after 19 iterations. iteration 773: trace = 2.451790746977272 (1.48163e-07% change) linmin: converged after 3 iterations. iteration 774: trace = 2.451790743128481 (1.56979e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.451790737848584 (2.15349e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451790729854339 (3.26057e-07% change) linmin: converged after 8 iterations. iteration 777: trace = 2.451790727169741 (1.09495e-07% change) large trace change predicted (4.78801e-07%) linmin: converged after 4 iterations. iteration 778: trace = 2.451790715429951 (4.78825e-07% change) linmin: converged after 2 iterations. iteration 779: trace = 2.451790709778148 (2.30517e-07% change) linmin: converged after 3 iterations. iteration 780: trace = 2.451790700825824 (3.65134e-07% change) linmin: converged after 3 iterations. iteration 781: trace = 2.451790689385569 (4.66608e-07% change) linmin: converged after 4 iterations. iteration 782: trace = 2.451790681609918 (3.17142e-07% change) linmin: converged after 2 iterations. iteration 783: trace = 2.451790669856535 (4.7938e-07% change) linmin: converged after 5 iterations. iteration 784: trace = 2.451790654469327 (6.27591e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.451790647110857 (3.00126e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.45179063292646 (5.78532e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790612215702 (8.4472e-07% change) linmin: converged after 2 iterations. iteration 788: trace = 2.451790600002854 (4.9812e-07% change) linmin: converged after 20 iterations. iteration 789: trace = 2.451790590687025 (3.7996e-07% change) linmin: converged after 2 iterations. iteration 790: trace = 2.451790579138194 (4.71037e-07% change) linmin: converged after 10 iterations. iteration 791: trace = 2.451790570376557 (3.57357e-07% change) linmin: converged after 13 iterations. iteration 792: trace = 2.451790563800309 (2.68222e-07% change) linmin: converged after 2 iterations. iteration 793: trace = 2.451790554031179 (3.98449e-07% change) linmin: converged after 3 iterations. iteration 794: trace = 2.451790551190658 (1.15855e-07% change) linmin: converged after 2 iterations. iteration 795: trace = 2.451790547999616 (1.30152e-07% change) large trace change predicted (2.78835e-07%) linmin: converged after 2 iterations. iteration 796: trace = 2.451790541163158 (2.78835e-07% change) linmin: converged after 3 iterations. iteration 797: trace = 2.451790534805629 (2.59301e-07% change) linmin: converged after 5 iterations. iteration 798: trace = 2.451790531592618 (1.31048e-07% change) large trace change predicted (4.55745e-07%) linmin: converged after 6 iterations. iteration 799: trace = 2.451790520418822 (4.5574e-07% change) linmin: converged after 4 iterations. iteration 800: trace = 2.451790501028113 (7.9088e-07% change) linmin: converged after 2 iterations. iteration 801: trace = 2.451790495873796 (2.10227e-07% change) large trace change predicted (7.63158e-07%) linmin: converged after 4 iterations. iteration 802: trace = 2.451790477163349 (7.63134e-07% change) linmin: converged after 3 iterations. iteration 803: trace = 2.451790459495037 (7.20629e-07% change) linmin: converged after 4 iterations. iteration 804: trace = 2.451790451672087 (3.19071e-07% change) linmin: converged after 3 iterations. iteration 805: trace = 2.451790436723717 (6.09692e-07% change) linmin: converged after 3 iterations. iteration 806: trace = 2.451790412569763 (9.85156e-07% change) linmin: converged after 2 iterations. iteration 807: trace = 2.451790405983093 (2.68647e-07% change) large trace change predicted (8.34966e-07%) linmin: converged after 3 iterations. iteration 808: trace = 2.45179038551315 (8.34898e-07% change) linmin: converged after 3 iterations. iteration 809: trace = 2.451790376691365 (3.5981e-07% change) linmin: converged after 2 iterations. iteration 810: trace = 2.451790373226363 (1.41325e-07% change) large trace change predicted (3.24348e-07%) linmin: converged after 15 iterations. iteration 811: trace = 2.451790365274265 (3.24338e-07% change) linmin: converged after 6 iterations. iteration 812: trace = 2.451790360944713 (1.76587e-07% change) linmin: converged after 16 iterations. iteration 813: trace = 2.45179035735819 (1.46282e-07% change) linmin: converged after 3 iterations. iteration 814: trace = 2.45179035518363 (8.86927e-08% change) large trace change predicted (3.50499e-07%) linmin: converged after 4 iterations. iteration 815: trace = 2.451790346590057 (3.50502e-07% change) linmin: converged after 4 iterations. iteration 816: trace = 2.451790343069597 (1.43587e-07% change) large trace change predicted (6.79588e-07%) linmin: converged after 4 iterations. iteration 817: trace = 2.451790326406905 (6.79613e-07% change) linmin: converged after 2 iterations. iteration 818: trace = 2.451790314656918 (4.79241e-07% change) linmin: converged after 5 iterations. iteration 819: trace = 2.451790307346486 (2.98167e-07% change) large trace change predicted (7.65441e-07%) linmin: converged after 27 iterations. iteration 820: trace = 2.451790288578049 (7.65499e-07% change) linmin: converged after 3 iterations. iteration 821: trace = 2.451790270157848 (7.51296e-07% change) linmin: converged after 4 iterations. iteration 822: trace = 2.45179026351673 (2.70868e-07% change) large trace change predicted (7.07818e-07%) linmin: converged after 4 iterations. iteration 823: trace = 2.45179024616222 (7.0783e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.451790230651461 (6.3263e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790227205586 (1.40545e-07% change) large trace change predicted (3.6891e-07%) linmin: converged after 16 iterations. iteration 826: trace = 2.451790218160509 (3.68917e-07% change) linmin: converged after 5 iterations. iteration 827: trace = 2.45179021014458 (3.26942e-07% change) linmin: converged after 3 iterations. iteration 828: trace = 2.451790205762229 (1.78741e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.451790198918644 (2.79126e-07% change) large trace change predicted (5.6893e-07%) linmin: converged after 15 iterations. iteration 830: trace = 2.451790184969097 (5.68954e-07% change) linmin: converged after 4 iterations. iteration 831: trace = 2.451790180236163 (1.9304e-07% change) linmin: converged after 7 iterations. iteration 832: trace = 2.451790174025743 (2.53301e-07% change) linmin: converged after 14 iterations. iteration 833: trace = 2.451790167418032 (2.69506e-07% change) linmin: converged after 2 iterations. iteration 834: trace = 2.451790162788162 (1.88836e-07% change) large trace change predicted (4.30491e-07%) linmin: converged after 2 iterations. iteration 835: trace = 2.45179015223326 (4.30498e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790137310635 (6.08642e-07% change) linmin: converged after 4 iterations. iteration 837: trace = 2.451790120547754 (6.837e-07% change) linmin: converged after 4 iterations. iteration 838: trace = 2.451790111942822 (3.50965e-07% change) large trace change predicted (4.13795e-06%) linmin: converged after 4 iterations. iteration 839: trace = 2.451790010489265 (4.13794e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.451789986870596 (9.63324e-07% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451789953923032 (1.34382e-06% change) linmin: converged after 2 iterations. iteration 842: trace = 2.451789937325728 (6.76946e-07% change) linmin: converged after 4 iterations. iteration 843: trace = 2.451789932982521 (1.77144e-07% change) large trace change predicted (9.22994e-07%) linmin: converged after 4 iterations. iteration 844: trace = 2.45178991035269 (9.22992e-07% change) linmin: converged after 15 iterations. iteration 845: trace = 2.451789896997208 (5.44724e-07% change) linmin: converged after 13 iterations. iteration 846: trace = 2.451789894120048 (1.17349e-07% change) large trace change predicted (2.52023e-07%) linmin: converged after 2 iterations. iteration 847: trace = 2.45178988794091 (2.52026e-07% change) linmin: converged after 2 iterations. iteration 848: trace = 2.451789882741654 (2.1206e-07% change) linmin: converged after 7 iterations. iteration 849: trace = 2.451789880993275 (7.13103e-08% change) large trace change predicted (1.99194e-07%) linmin: converged after 2 iterations. iteration 850: trace = 2.45178987610946 (1.99194e-07% change) linmin: converged after 3 iterations. iteration 851: trace = 2.451789873078086 (1.23639e-07% change) linmin: converged after 3 iterations. iteration 852: trace = 2.451789871578654 (6.11566e-08% change) large trace change predicted (1.88945e-07%) linmin: converged after 3 iterations. iteration 853: trace = 2.45178986694617 (1.88943e-07% change) linmin: converged after 23 iterations. iteration 854: trace = 2.451789861262198 (2.3183e-07% change) linmin: converged after 2 iterations. iteration 855: trace = 2.451789859135086 (8.67575e-08% change) large trace change predicted (3.14783e-07%) linmin: converged after 5 iterations. iteration 856: trace = 2.451789851417757 (3.14763e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451789843010168 (3.42916e-07% change) linmin: converged after 21 iterations. iteration 858: trace = 2.451789840693255 (9.44988e-08% change) large trace change predicted (3.89052e-07%) linmin: converged after 4 iterations. iteration 859: trace = 2.451789831155444 (3.89014e-07% change) linmin: converged after 11 iterations. iteration 860: trace = 2.451789826063338 (2.07689e-07% change) linmin: converged after 6 iterations. iteration 861: trace = 2.451789820963832 (2.07991e-07% change) linmin: converged after 4 iterations. iteration 862: trace = 2.451789814497017 (2.63759e-07% change) linmin: converged after 2 iterations. iteration 863: trace = 2.451789809845004 (1.89739e-07% change) linmin: converged after 19 iterations. iteration 864: trace = 2.451789805004569 (1.97425e-07% change) linmin: converged after 2 iterations. iteration 865: trace = 2.451789800116881 (1.99352e-07% change) linmin: converged after 7 iterations. iteration 866: trace = 2.451789796479966 (1.48337e-07% change) linmin: converged after 14 iterations. iteration 867: trace = 2.451789795774224 (2.87848e-08% change) large trace change predicted (1.07909e-07%) linmin: converged after 7 iterations. iteration 868: trace = 2.451789793128498 (1.0791e-07% change) linmin: converged after 3 iterations. iteration 869: trace = 2.45178979027602 (1.16343e-07% change) linmin: converged after 4 iterations. iteration 870: trace = 2.451789789488396 (3.21244e-08% change) large trace change predicted (7.05208e-08%) linmin: converged after 4 iterations. iteration 871: trace = 2.451789787759372 (7.05209e-08% change) large trace change predicted (1.45287e-07%) linmin: converged after 23 iterations. iteration 872: trace = 2.451789784197151 (1.45291e-07% change) linmin: converged after 3 iterations. iteration 873: trace = 2.451789782599497 (6.51628e-08% change) large trace change predicted (2.32769e-07%) linmin: converged after 6 iterations. iteration 874: trace = 2.451789776892233 (2.3278e-07% change) linmin: converged after 2 iterations. iteration 875: trace = 2.451789771182008 (2.329e-07% change) linmin: converged after 3 iterations. iteration 876: trace = 2.451789768465798 (1.10785e-07% change) large trace change predicted (4.20193e-07%) linmin: converged after 6 iterations. iteration 877: trace = 2.451789758162846 (4.20222e-07% change) linmin: converged after 2 iterations. iteration 878: trace = 2.451789750314161 (3.20121e-07% change) linmin: converged after 2 iterations. iteration 879: trace = 2.451789746327388 (1.62607e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.451789743081488 (1.32389e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789738884184 (1.71193e-07% change) linmin: converged after 23 iterations. iteration 882: trace = 2.45178973791782 (3.94146e-08% change) large trace change predicted (9.37929e-08%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789735618202 (9.37934e-08% change) linmin: converged after 2 iterations. iteration 884: trace = 2.451789732598218 (1.23175e-07% change) linmin: converged after 3 iterations. iteration 885: trace = 2.451789731965784 (2.57948e-08% change) large trace change predicted (7.84584e-08%) linmin: converged after 4 iterations. iteration 886: trace = 2.451789730042179 (7.84572e-08% change) linmin: converged after 4 iterations. iteration 887: trace = 2.451789727669895 (9.67572e-08% change) linmin: converged after 4 iterations. iteration 888: trace = 2.451789726958978 (2.89958e-08% change) large trace change predicted (7.37814e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.451789725150022 (7.3781e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.451789723359748 (7.30191e-08% change) linmin: converged after 6 iterations. iteration 891: trace = 2.451789722510739 (3.46281e-08% change) large trace change predicted (1.86754e-07%) linmin: converged after 4 iterations. iteration 892: trace = 2.451789717932041 (1.86749e-07% change) linmin: converged after 18 iterations. iteration 893: trace = 2.451789713869808 (1.65684e-07% change) linmin: converged after 4 iterations. iteration 894: trace = 2.451789711982452 (7.69787e-08% change) large trace change predicted (1.67511e-07%) linmin: converged after 4 iterations. iteration 895: trace = 2.45178970787558 (1.67505e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789702508789 (2.18893e-07% change) linmin: converged after 4 iterations. iteration 897: trace = 2.451789701262749 (5.08217e-08% change) large trace change predicted (1.88421e-07%) linmin: converged after 18 iterations. iteration 898: trace = 2.451789696643142 (1.88418e-07% change) linmin: converged after 9 iterations. iteration 899: trace = 2.451789693876194 (1.12854e-07% change) linmin: converged after 3 iterations. iteration 900: trace = 2.451789693013882 (3.51707e-08% change) linmin: converged after 4 iterations. iteration 901: trace = 2.451789691465916 (6.31362e-08% change) linmin: converged after 3 iterations. iteration 902: trace = 2.451789689639584 (7.44897e-08% change) linmin: converged after 10 iterations. iteration 903: trace = 2.451789689100977 (2.19679e-08% change) large trace change predicted (6.73807e-08%) linmin: converged after 4 iterations. iteration 904: trace = 2.451789687448952 (6.73804e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.451789685861151 (6.47609e-08% change) linmin: converged after 2 iterations. iteration 906: trace = 2.451789683984938 (7.65242e-08% change) linmin: converged after 4 iterations. iteration 907: trace = 2.451789683536962 (1.82714e-08% change) large trace change predicted (4.31642e-08%) linmin: converged after 4 iterations. iteration 908: trace = 2.451789682478664 (4.31643e-08% change) linmin: converged after 4 iterations. iteration 909: trace = 2.451789681660772 (3.3359e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.451789681414021 (1.00641e-08% change) large trace change predicted (3.76277e-08%) linmin: converged after 2 iterations. iteration 911: trace = 2.451789680491471 (3.76276e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.451789679913398 (2.35776e-08% change) linmin: converged after 9 iterations. iteration 913: trace = 2.451789679425043 (1.99183e-08% change) large trace change predicted (6.48557e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.451789677834909 (6.4856e-08% change) linmin: converged after 4 iterations. iteration 915: trace = 2.451789677008934 (3.36887e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.451789675727337 (5.22719e-08% change) linmin: converged after 2 iterations. iteration 917: trace = 2.45178967397728 (7.13787e-08% change) linmin: converged after 4 iterations. iteration 918: trace = 2.451789672582115 (5.6904e-08% change) linmin: converged after 2 iterations. iteration 919: trace = 2.451789671389696 (4.86346e-08% change) linmin: converged after 3 iterations. iteration 920: trace = 2.451789669396906 (8.1279e-08% change) linmin: converged after 3 iterations. iteration 921: trace = 2.451789668419767 (3.98541e-08% change) linmin: converged after 2 iterations. iteration 922: trace = 2.45178966680209 (6.59794e-08% change) large trace change predicted (1.44105e-07%) linmin: converged after 20 iterations. iteration 923: trace = 2.451789663268861 (1.44108e-07% change) linmin: converged after 2 iterations. iteration 924: trace = 2.451789660509077 (1.12562e-07% change) linmin: converged after 4 iterations. iteration 925: trace = 2.451789658115672 (9.76187e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.451789653891448 (1.72291e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789650983314 (1.18613e-07% change) linmin: converged after 3 iterations. iteration 928: trace = 2.451789649794736 (4.8478e-08% change) large trace change predicted (1.36386e-07%) linmin: converged after 12 iterations. iteration 929: trace = 2.451789646450763 (1.36389e-07% change) linmin: converged after 3 iterations. iteration 930: trace = 2.45178964528951 (4.73635e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.451789644693512 (2.43087e-08% change) large trace change predicted (6.16178e-08%) linmin: converged after 7 iterations. iteration 932: trace = 2.451789643182755 (6.16185e-08% change) linmin: converged after 32 iterations. iteration 933: trace = 2.451789641300575 (7.67676e-08% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789640875269 (1.73468e-08% change) large trace change predicted (4.53112e-08%) linmin: converged after 7 iterations. iteration 935: trace = 2.451789639764319 (4.53118e-08% change) linmin: converged after 5 iterations. iteration 936: trace = 2.451789638171377 (6.49706e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789637803857 (1.49899e-08% change) large trace change predicted (8.93399e-08%) linmin: converged after 5 iterations. iteration 938: trace = 2.451789635613441 (8.93395e-08% change) linmin: converged after 10 iterations. iteration 939: trace = 2.451789632745077 (1.16991e-07% change) linmin: converged after 4 iterations. iteration 940: trace = 2.451789631628544 (4.55395e-08% change) large trace change predicted (1.32174e-07%) linmin: converged after 3 iterations. iteration 941: trace = 2.451789628387989 (1.32171e-07% change) linmin: converged after 7 iterations. iteration 942: trace = 2.451789624241115 (1.69137e-07% change) linmin: converged after 6 iterations. iteration 943: trace = 2.451789622600985 (6.68952e-08% change) large trace change predicted (1.58156e-07%) linmin: converged after 3 iterations. iteration 944: trace = 2.451789618723377 (1.58154e-07% change) linmin: converged after 4 iterations. iteration 945: trace = 2.451789615043096 (1.50106e-07% change) linmin: converged after 4 iterations. iteration 946: trace = 2.451789612834995 (9.00608e-08% change) linmin: converged after 6 iterations. iteration 947: trace = 2.451789610026037 (1.14568e-07% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789607113506 (1.18792e-07% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789606671788 (1.80162e-08% change) large trace change predicted (4.54123e-08%) linmin: converged after 4 iterations. iteration 950: trace = 2.451789605558381 (4.5412e-08% change) linmin: converged after 4 iterations. iteration 951: trace = 2.451789604518557 (4.24108e-08% change) linmin: converged after 2 iterations. iteration 952: trace = 2.451789604005773 (2.09147e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.451789603249922 (3.08286e-08% change) large trace change predicted (6.33635e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.451789601696375 (6.33638e-08% change) linmin: converged after 11 iterations. iteration 955: trace = 2.451789600898499 (3.25426e-08% change) large trace change predicted (7.53965e-08%) linmin: converged after 7 iterations. iteration 956: trace = 2.451789599049904 (7.53978e-08% change) large trace change predicted (2.06592e-07%) linmin: converged after 7 iterations. iteration 957: trace = 2.451789593984522 (2.06599e-07% change) linmin: converged after 2 iterations. iteration 958: trace = 2.451789592523115 (5.96057e-08% change) linmin: converged after 2 iterations. iteration 959: trace = 2.451789590468554 (8.37984e-08% change) linmin: converged after 14 iterations. iteration 960: trace = 2.451789587535626 (1.19624e-07% change) linmin: converged after 4 iterations. iteration 961: trace = 2.451789586218321 (5.37283e-08% change) large trace change predicted (1.2757e-07%) linmin: converged after 4 iterations. iteration 962: trace = 2.451789583090465 (1.27574e-07% change) linmin: converged after 3 iterations. iteration 963: trace = 2.451789579192883 (1.58969e-07% change) linmin: converged after 18 iterations. iteration 964: trace = 2.451789578061209 (4.61571e-08% change) linmin: converged after 16 iterations. iteration 965: trace = 2.451789576154816 (7.77552e-08% change) linmin: converged after 11 iterations. iteration 966: trace = 2.451789574478228 (6.83822e-08% change) linmin: converged after 16 iterations. iteration 967: trace = 2.451789572675616 (7.35223e-08% change) linmin: converged after 2 iterations. iteration 968: trace = 2.451789572095025 (2.36803e-08% change) large trace change predicted (5.30602e-08%) linmin: converged after 4 iterations. iteration 969: trace = 2.451789570794091 (5.30606e-08% change) linmin: converged after 3 iterations. iteration 970: trace = 2.451789569502794 (5.26675e-08% change) linmin: converged after 20 iterations. iteration 971: trace = 2.451789568758457 (3.03589e-08% change) large trace change predicted (7.4694e-08%) linmin: converged after 3 iterations. iteration 972: trace = 2.451789566927112 (7.46942e-08% change) linmin: converged after 5 iterations. iteration 973: trace = 2.451789565905182 (4.1681e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.451789564571188 (5.4409e-08% change) large trace change predicted (1.19265e-07%) linmin: converged after 2 iterations. iteration 975: trace = 2.451789561647052 (1.19265e-07% change) linmin: converged after 3 iterations. iteration 976: trace = 2.451789557932699 (1.51496e-07% change) linmin: converged after 6 iterations. iteration 977: trace = 2.451789553882278 (1.65203e-07% change) linmin: converged after 2 iterations. iteration 978: trace = 2.451789547065199 (2.78045e-07% change) linmin: converged after 35 iterations. iteration 979: trace = 2.451789542269213 (1.95612e-07% change) resetting CG direction... linmin: converged after 9 iterations. iteration 980: trace = 2.451789538920302 (1.3659e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.451789533866137 (2.06142e-07% change) linmin: converged after 4 iterations. iteration 982: trace = 2.45178953087933 (1.21822e-07% change) linmin: converged after 4 iterations. iteration 983: trace = 2.451789529708072 (4.77715e-08% change) large trace change predicted (1.43446e-07%) linmin: converged after 4 iterations. iteration 984: trace = 2.451789526191099 (1.43445e-07% change) linmin: converged after 3 iterations. iteration 985: trace = 2.451789524605157 (6.46851e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789523910957 (2.8314e-08% change) large trace change predicted (8.56956e-08%) linmin: converged after 4 iterations. iteration 987: trace = 2.451789521809864 (8.56963e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.451789521327715 (1.96652e-08% change) large trace change predicted (4.75187e-08%) linmin: converged after 4 iterations. iteration 989: trace = 2.451789520162652 (4.75189e-08% change) linmin: converged after 28 iterations. iteration 990: trace = 2.45178951907833 (4.42257e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789518826996 (1.02511e-08% change) large trace change predicted (3.04703e-08%) linmin: converged after 12 iterations. iteration 992: trace = 2.451789518079933 (3.04701e-08% change) linmin: converged after 4 iterations. iteration 993: trace = 2.451789517175648 (3.68827e-08% change) linmin: converged after 15 iterations. iteration 994: trace = 2.451789516733808 (1.80211e-08% change) large trace change predicted (4.85174e-08%) linmin: converged after 3 iterations. iteration 995: trace = 2.451789515544282 (4.85167e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.451789513746006 (7.33454e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.451789512943088 (3.27483e-08% change) large trace change predicted (7.50479e-08%) linmin: converged after 4 iterations. iteration 998: trace = 2.451789511103156 (7.50444e-08% change) linmin: converged after 32 iterations. iteration 999: trace = 2.451789508929564 (8.86533e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.451789508467529 (1.88448e-08% change) large trace change predicted (4.93931e-08%) linmin: converged after 7 iterations. iteration 1001: trace = 2.451789507256528 (4.93925e-08% change) linmin: converged after 7 iterations. iteration 1002: trace = 2.451789505521838 (7.0752e-08% change) linmin: converged after 6 iterations. iteration 1003: trace = 2.451789504713068 (3.29869e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.45178950349897 (4.95189e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.451789502634622 (3.52538e-08% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.451789502403991 (9.40664e-09% change) linmin: converged after 18 iterations. iteration 1007: trace = 2.451789501958141 (1.81847e-08% change) linmin: converged after 3 iterations. iteration 1008: trace = 2.451789501501478 (1.86257e-08% change) linmin: converged after 25 iterations. iteration 1009: trace = 2.451789501320027 (7.40073e-09% change) large trace change predicted (1.76887e-08%) linmin: converged after 37 iterations. iteration 1010: trace = 2.451789500886335 (1.76888e-08% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.451789500329215 (2.2723e-08% change) linmin: converged after 6 iterations. iteration 1012: trace = 2.451789499357672 (3.96259e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.45178949907214 (1.16459e-08% change) large trace change predicted (5.76716e-08%) linmin: converged after 4 iterations. iteration 1014: trace = 2.451789497658105 (5.76736e-08% change) linmin: converged after 2 iterations. iteration 1015: trace = 2.45178949672729 (3.79647e-08% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.45178949567889 (4.27606e-08% change) linmin: converged after 6 iterations. iteration 1017: trace = 2.451789493824995 (7.56139e-08% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.451789491851522 (8.04911e-08% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.451789491483269 (1.50198e-08% change) large trace change predicted (4.47623e-08%) linmin: converged after 10 iterations. iteration 1020: trace = 2.451789490385769 (4.47632e-08% change) linmin: converged after 13 iterations. iteration 1021: trace = 2.45178948971514 (2.73526e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.451789489571389 (5.86313e-09% change) large trace change predicted (2.25475e-08%) linmin: converged after 4 iterations. iteration 1023: trace = 2.451789489018571 (2.25475e-08% change) linmin: converged after 21 iterations. iteration 1024: trace = 2.4517894886587 (1.46779e-08% change) linmin: converged after 18 iterations. iteration 1025: trace = 2.451789488377957 (1.14505e-08% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.451789487994135 (1.56548e-08% change) linmin: converged after 6 iterations. iteration 1027: trace = 2.451789487422487 (2.33155e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.45178948729766 (5.09127e-09% change) large trace change predicted (1.96996e-08%) linmin: converged after 13 iterations. iteration 1029: trace = 2.451789486814671 (1.96995e-08% change) linmin: converged after 16 iterations. iteration 1030: trace = 2.451789486321406 (2.01186e-08% change) linmin: converged after 10 iterations. iteration 1031: trace = 2.451789486078535 (9.90583e-09% change) large trace change predicted (3.6801e-08%) linmin: converged after 4 iterations. iteration 1032: trace = 2.451789485176253 (3.6801e-08% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.451789484469806 (2.88135e-08% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.451789484113442 (1.45349e-08% change) large trace change predicted (4.50827e-08%) linmin: converged after 6 iterations. iteration 1035: trace = 2.451789483008118 (4.50823e-08% change) linmin: converged after 12 iterations. iteration 1036: trace = 2.451789482027406 (3.99998e-08% change) linmin: converged after 19 iterations. iteration 1037: trace = 2.451789481716724 (1.26716e-08% change) large trace change predicted (4.16524e-08%) linmin: converged after 5 iterations. iteration 1038: trace = 2.451789480695513 (4.16517e-08% change) linmin: converged after 3 iterations. iteration 1039: trace = 2.4517894802605 (1.77427e-08% change) linmin: converged after 4 iterations. iteration 1040: trace = 2.451789479866691 (1.60621e-08% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789479663722 (8.27843e-09% change) large trace change predicted (1.79079e-08%) linmin: converged after 32 iterations. iteration 1042: trace = 2.451789479224663 (1.79077e-08% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.451789479107543 (4.77694e-09% change) large trace change predicted (1.16228e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.451789478822575 (1.16229e-08% change) linmin: converged after 11 iterations. iteration 1045: trace = 2.451789478433008 (1.58891e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.451789478290143 (5.82696e-09% change) linmin: converged after 3 iterations. iteration 1047: trace = 2.451789478006602 (1.15647e-08% change) linmin: converged after 9 iterations. iteration 1048: trace = 2.45178947785902 (6.01936e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.451789477702456 (6.38571e-09% change) resetting CG direction... linmin: converged after 17 iterations. iteration 1050: trace = 2.451789477604255 (4.00528e-09% change) linmin: converged after 3 iterations. iteration 1051: trace = 2.451789477457229 (5.9967e-09% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.451789477298166 (6.48763e-09% change) linmin: converged after 4 iterations. iteration 1053: trace = 2.451789477211337 (3.54143e-09% change) large trace change predicted (1.54722e-08%) linmin: converged after 2 iterations. iteration 1054: trace = 2.451789476831988 (1.54723e-08% change) linmin: converged after 2 iterations. iteration 1055: trace = 2.451789476657687 (7.10913e-09% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.451789476429671 (9.29999e-09% change) linmin: converged after 3 iterations. iteration 1057: trace = 2.451789476023599 (1.65623e-08% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.451789475742752 (1.14548e-08% change) linmin: converged after 14 iterations. iteration 1059: trace = 2.451789475461205 (1.14833e-08% change) linmin: converged after 4 iterations. iteration 1060: trace = 2.451789475034871 (1.73887e-08% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.45178947458015 (1.85465e-08% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.451789474400587 (7.32375e-09% change) large trace change predicted (2.98864e-08%) linmin: converged after 4 iterations. iteration 1063: trace = 2.451789473667828 (2.98867e-08% change) linmin: converged after 20 iterations. iteration 1064: trace = 2.451789472904582 (3.11301e-08% change) linmin: converged after 10 iterations. iteration 1065: trace = 2.451789472533564 (1.51325e-08% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.451789471828578 (2.87539e-08% change) linmin: converged after 3 iterations. iteration 1067: trace = 2.451789471167823 (2.69499e-08% change) linmin: converged after 2 iterations. iteration 1068: trace = 2.45178947084209 (1.32855e-08% change) large trace change predicted (3.06869e-08%) linmin: converged after 4 iterations. iteration 1069: trace = 2.451789470089702 (3.06873e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.45178946981615 (1.11572e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.451789469717886 (4.00785e-09% change) large trace change predicted (1.48704e-08%) linmin: converged after 4 iterations. iteration 1072: trace = 2.451789469353295 (1.48704e-08% change) linmin: converged after 32 iterations. iteration 1073: trace = 2.451789469239882 (4.62573e-09% change) large trace change predicted (1.22484e-08%) linmin: converged after 2 iterations. iteration 1074: trace = 2.451789468939574 (1.22485e-08% change) linmin: converged after 3 iterations. iteration 1075: trace = 2.451789468710553 (9.34095e-09% change) linmin: converged after 2 iterations. iteration 1076: trace = 2.451789468502835 (8.47213e-09% change) linmin: converged after 2 iterations. iteration 1077: trace = 2.451789468242116 (1.06338e-08% change) linmin: converged after 6 iterations. iteration 1078: trace = 2.451789467756416 (1.981e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789467583747 (7.04257e-09% change) large trace change predicted (2.70181e-08%) linmin: converged after 6 iterations. iteration 1080: trace = 2.451789466921327 (2.70178e-08% change) linmin: converged after 3 iterations. iteration 1081: trace = 2.451789466155328 (3.12424e-08% change) linmin: converged after 4 iterations. iteration 1082: trace = 2.451789465229706 (3.77529e-08% change) linmin: converged after 4 iterations. iteration 1083: trace = 2.451789464486077 (3.03301e-08% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789464116347 (1.508e-08% change) linmin: converged after 6 iterations. iteration 1085: trace = 2.451789463384574 (2.98465e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.451789462786597 (2.43894e-08% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.451789462264155 (2.13086e-08% change) linmin: converged after 8 iterations. iteration 1088: trace = 2.451789461621816 (2.61988e-08% change) linmin: converged after 14 iterations. iteration 1089: trace = 2.451789461491183 (5.32806e-09% change) linmin: converged after 10 iterations. iteration 1090: trace = 2.451789461307794 (7.4798e-09% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.45178946106937 (9.72451e-09% change) linmin: converged after 2 iterations. iteration 1092: trace = 2.451789460922025 (6.00968e-09% change) linmin: converged after 2 iterations. iteration 1093: trace = 2.451789460804124 (4.8088e-09% change) large trace change predicted (1.03444e-08%) linmin: converged after 5 iterations. iteration 1094: trace = 2.4517894605505 (1.03444e-08% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.451789460184868 (1.49128e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789459883212 (1.23035e-08% change) large trace change predicted (3.91793e-08%) linmin: converged after 10 iterations. iteration 1097: trace = 2.451789458922604 (3.91799e-08% change) linmin: converged after 12 iterations. iteration 1098: trace = 2.451789458344635 (2.35733e-08% change) linmin: converged after 8 iterations. iteration 1099: trace = 2.451789458143167 (8.21721e-09% change) large trace change predicted (3.25163e-08%) linmin: converged after 10 iterations. iteration 1100: trace = 2.451789457345916 (3.25171e-08% change) linmin: converged after 7 iterations. iteration 1101: trace = 2.451789456811469 (2.17982e-08% change) linmin: converged after 7 iterations. iteration 1102: trace = 2.451789456420609 (1.59418e-08% change) large trace change predicted (3.32524e-08%) linmin: converged after 8 iterations. iteration 1103: trace = 2.451789455605312 (3.32531e-08% change) linmin: converged after 7 iterations. iteration 1104: trace = 2.451789455351202 (1.03643e-08% change) linmin: converged after 6 iterations. iteration 1105: trace = 2.451789455012495 (1.38147e-08% change) linmin: converged after 6 iterations. iteration 1106: trace = 2.451789454644502 (1.50092e-08% change) linmin: converged after 7 iterations. iteration 1107: trace = 2.451789454367407 (1.13017e-08% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.451789454156304 (8.61018e-09% change) linmin: converged after 22 iterations. iteration 1109: trace = 2.451789453878828 (1.13173e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.451789453446221 (1.76445e-08% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.451789453360936 (3.47848e-09% change) large trace change predicted (1.71421e-08%) linmin: converged after 2 iterations. iteration 1112: trace = 2.451789452940649 (1.71421e-08% change) linmin: converged after 4 iterations. iteration 1113: trace = 2.451789452434187 (2.06568e-08% change) linmin: converged after 2 iterations. iteration 1114: trace = 2.451789452215157 (8.93348e-09% change) large trace change predicted (2.15177e-08%) linmin: converged after 17 iterations. iteration 1115: trace = 2.451789451687592 (2.15176e-08% change) large trace change predicted (5.20922e-08%) linmin: converged after 6 iterations. iteration 1116: trace = 2.451789450410407 (5.20919e-08% change) linmin: converged after 10 iterations. iteration 1117: trace = 2.451789450108619 (1.23089e-08% change) large trace change predicted (4.86879e-08%) linmin: converged after 4 iterations. iteration 1118: trace = 2.451789448914889 (4.86881e-08% change) large trace change predicted (1.18852e-07%) linmin: converged after 4 iterations. iteration 1119: trace = 2.451789446000859 (1.18853e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.451789444925282 (4.38691e-08% change) linmin: converged after 2 iterations. iteration 1121: trace = 2.451789443380418 (6.30096e-08% change) linmin: converged after 6 iterations. iteration 1122: trace = 2.451789442998375 (1.55822e-08% change) linmin: converged after 26 iterations. iteration 1123: trace = 2.451789442681806 (1.29118e-08% change) large trace change predicted (4.02026e-08%) linmin: converged after 2 iterations. iteration 1124: trace = 2.451789441696118 (4.02028e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789441310206 (1.574e-08% change) linmin: converged after 4 iterations. iteration 1126: trace = 2.451789441005114 (1.24437e-08% change) linmin: converged after 23 iterations. iteration 1127: trace = 2.451789440655316 (1.4267e-08% change) linmin: converged after 2 iterations. iteration 1128: trace = 2.451789440500143 (6.32898e-09% change) linmin: converged after 2 iterations. iteration 1129: trace = 2.451789440397609 (4.18202e-09% change) linmin: converged after 2 iterations. iteration 1130: trace = 2.451789440221758 (7.17235e-09% change) linmin: converged after 2 iterations. iteration 1131: trace = 2.451789440132333 (3.64731e-09% change) linmin: converged after 6 iterations. iteration 1132: trace = 2.451789440064377 (2.77172e-09% change) large trace change predicted (8.23192e-09%) linmin: converged after 24 iterations. iteration 1133: trace = 2.45178943986255 (8.23182e-09% change) linmin: converged after 6 iterations. iteration 1134: trace = 2.451789439792539 (2.85551e-09% change) large trace change predicted (1.10002e-08%) linmin: converged after 5 iterations. iteration 1135: trace = 2.451789439522839 (1.10001e-08% change) linmin: converged after 10 iterations. iteration 1136: trace = 2.451789439065675 (1.86461e-08% change) linmin: converged after 8 iterations. iteration 1137: trace = 2.451789438912651 (6.24133e-09% change) linmin: converged after 7 iterations. iteration 1138: trace = 2.451789438711165 (8.21791e-09% change) linmin: converged after 9 iterations. iteration 1139: trace = 2.451789438414954 (1.20814e-08% change) linmin: converged after 5 iterations. iteration 1140: trace = 2.451789438305946 (4.44606e-09% change) large trace change predicted (9.46978e-09%) linmin: converged after 4 iterations. iteration 1141: trace = 2.451789438073767 (9.46977e-09% change) linmin: converged after 10 iterations. iteration 1142: trace = 2.451789437755216 (1.29926e-08% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.451789437554118 (8.20212e-09% change) linmin: converged after 5 iterations. iteration 1144: trace = 2.45178943723552 (1.29945e-08% change) linmin: converged after 15 iterations. iteration 1145: trace = 2.451789437005744 (9.37174e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.45178943692507 (3.29042e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.4517894368919 (1.35289e-09% change) large trace change predicted (3.47999e-09%) linmin: converged after 4 iterations. iteration 1148: trace = 2.451789436806578 (3.48001e-09% change) linmin: converged after 9 iterations. iteration 1149: trace = 2.451789436713927 (3.77892e-09% change) linmin: converged after 3 iterations. iteration 1150: trace = 2.451789436683515 (1.24037e-09% change) large trace change predicted (4.58192e-09%) linmin: converged after 24 iterations. iteration 1151: trace = 2.451789436571175 (4.58197e-09% change) linmin: converged after 32 iterations. iteration 1152: trace = 2.451789436412008 (6.49188e-09% change) linmin: converged after 5 iterations. iteration 1153: trace = 2.451789436324402 (3.57314e-09% change) large trace change predicted (9.36613e-09%) linmin: converged after 5 iterations. iteration 1154: trace = 2.451789436094762 (9.36621e-09% change) linmin: converged after 16 iterations. iteration 1155: trace = 2.451789435843339 (1.02547e-08% change) linmin: converged after 7 iterations. iteration 1156: trace = 2.451789435724615 (4.84236e-09% change) large trace change predicted (1.14991e-08%) linmin: converged after 4 iterations. iteration 1157: trace = 2.451789435442681 (1.14991e-08% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.451789435066972 (1.53238e-08% change) linmin: converged after 4 iterations. iteration 1159: trace = 2.451789434953042 (4.64684e-09% change) linmin: converged after 12 iterations. iteration 1160: trace = 2.451789434763234 (7.7416e-09% change) linmin: converged after 27 iterations. iteration 1161: trace = 2.45178943464756 (4.71793e-09% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.451789434520582 (5.17899e-09% change) linmin: converged after 13 iterations. iteration 1163: trace = 2.451789434488458 (1.31025e-09% change) large trace change predicted (5.33656e-09%) linmin: converged after 11 iterations. iteration 1164: trace = 2.451789434357616 (5.33657e-09% change) linmin: converged after 21 iterations. iteration 1165: trace = 2.451789434291791 (2.68478e-09% change) linmin: converged after 6 iterations. iteration 1166: trace = 2.451789434261149 (1.24981e-09% change) large trace change predicted (3.91884e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.451789434165068 (3.91879e-09% change) linmin: converged after 3 iterations. iteration 1168: trace = 2.451789434136015 (1.18498e-09% change) large trace change predicted (2.71199e-09%) linmin: converged after 4 iterations. iteration 1169: trace = 2.451789434069525 (2.71189e-09% change) linmin: converged after 3 iterations. iteration 1170: trace = 2.45178943399372 (3.09181e-09% change) linmin: converged after 6 iterations. iteration 1171: trace = 2.45178943393504 (2.39336e-09% change) large trace change predicted (6.31132e-09%) linmin: converged after 13 iterations. iteration 1172: trace = 2.4517894337803 (6.31132e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.45178943354403 (9.63662e-09% change) linmin: converged after 2 iterations. iteration 1174: trace = 2.451789433435126 (4.44182e-09% change) linmin: converged after 4 iterations. iteration 1175: trace = 2.451789433266412 (6.88128e-09% change) linmin: converged after 21 iterations. iteration 1176: trace = 2.451789433107037 (6.50034e-09% change) linmin: converged after 6 iterations. iteration 1177: trace = 2.451789433032049 (3.0585e-09% change) linmin: converged after 4 iterations. iteration 1178: trace = 2.451789432936616 (3.8924e-09% change) linmin: converged after 3 iterations. iteration 1179: trace = 2.451789432834197 (4.1773e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789432750767 (3.40283e-09% change) linmin: converged after 15 iterations. iteration 1181: trace = 2.451789432718663 (1.30941e-09% change) large trace change predicted (3.6869e-09%) linmin: converged after 6 iterations. iteration 1182: trace = 2.451789432628267 (3.68693e-09% change) linmin: converged after 17 iterations. iteration 1183: trace = 2.45178943254709 (3.31094e-09% change) linmin: converged after 2 iterations. iteration 1184: trace = 2.451789432517119 (1.22242e-09% change) large trace change predicted (2.54233e-09%) linmin: converged after 22 iterations. iteration 1185: trace = 2.451789432454788 (2.54225e-09% change) linmin: converged after 3 iterations. iteration 1186: trace = 2.451789432402453 (2.13456e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.451789432388257 (5.79032e-10% change) large trace change predicted (1.54542e-09%) linmin: converged after 5 iterations. iteration 1188: trace = 2.451789432350368 (1.54535e-09% change) linmin: converged after 13 iterations. iteration 1189: trace = 2.451789432324005 (1.07525e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.451789432314062 (4.05529e-10% change) large trace change predicted (1.16745e-09%) linmin: converged after 2 iterations. iteration 1191: trace = 2.45178943228544 (1.16739e-09% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.45178943226068 (1.00988e-09% change) linmin: converged after 4 iterations. iteration 1193: trace = 2.451789432242379 (7.46449e-10% change) large trace change predicted (2.60352e-09%) linmin: converged after 2 iterations. iteration 1194: trace = 2.451789432178546 (2.60351e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.451789432135704 (1.74738e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.451789432109925 (1.05143e-09% change) large trace change predicted (3.71331e-09%) linmin: converged after 22 iterations. iteration 1197: trace = 2.45178943201888 (3.71341e-09% change) linmin: converged after 15 iterations. iteration 1198: trace = 2.451789431942013 (3.13514e-09% change) linmin: converged after 13 iterations. iteration 1199: trace = 2.451789431905557 (1.48692e-09% change) large trace change predicted (3.2292e-09%) linmin: converged after 10 iterations. iteration 1200: trace = 2.451789431826384 (3.22918e-09% change) linmin: converged after 17 iterations. iteration 1201: trace = 2.451789431745151 (3.31324e-09% change) linmin: converged after 3 iterations. iteration 1202: trace = 2.451789431668733 (3.11681e-09% change) linmin: converged after 21 iterations. iteration 1203: trace = 2.45178943158324 (3.48694e-09% change) linmin: converged after 20 iterations. iteration 1204: trace = 2.451789431416207 (6.81272e-09% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.451789431339904 (3.11215e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.451789431218815 (4.93878e-09% change) linmin: converged after 9 iterations. iteration 1207: trace = 2.45178943105932 (6.50523e-09% change) linmin: converged after 3 iterations. iteration 1208: trace = 2.451789430961017 (4.00944e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789430914346 (1.90355e-09% change) linmin: converged after 5 iterations. iteration 1210: trace = 2.451789430851262 (2.57299e-09% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.4517894308107 (1.65437e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789430771842 (1.58489e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.451789430698229 (3.00242e-09% change) linmin: converged after 12 iterations. iteration 1214: trace = 2.451789430682092 (6.58167e-10% change) large trace change predicted (2.06295e-09%) linmin: converged after 6 iterations. iteration 1215: trace = 2.451789430631512 (2.06296e-09% change) linmin: converged after 8 iterations. iteration 1216: trace = 2.451789430563574 (2.77098e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.45178943054403 (7.97111e-10% change) large trace change predicted (3.0639e-09%) linmin: converged after 4 iterations. iteration 1218: trace = 2.45178943046891 (3.0639e-09% change) linmin: converged after 4 iterations. iteration 1219: trace = 2.451789430371346 (3.9793e-09% change) linmin: converged after 3 iterations. iteration 1220: trace = 2.451789430277645 (3.82174e-09% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.451789430170666 (4.3633e-09% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789429958573 (8.65052e-09% change) linmin: converged after 7 iterations. iteration 1223: trace = 2.451789429891327 (2.74276e-09% change) large trace change predicted (6.59909e-09%) linmin: converged after 4 iterations. iteration 1224: trace = 2.45178942972953 (6.59915e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789429590462 (5.6721e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.451789429440496 (6.11659e-09% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.451789429407309 (1.35357e-09% change) large trace change predicted (3.79186e-09%) linmin: converged after 4 iterations. iteration 1228: trace = 2.451789429314341 (3.79184e-09% change) linmin: converged after 8 iterations. iteration 1229: trace = 2.451789429265199 (2.00435e-09% change) linmin: converged after 20 iterations. iteration 1230: trace = 2.451789429232905 (1.31713e-09% change) linmin: converged after 6 iterations. iteration 1231: trace = 2.451789429211837 (8.5931e-10% change) linmin: converged after 6 iterations. iteration 1232: trace = 2.451789429169915 (1.70985e-09% change) linmin: converged after 12 iterations. iteration 1233: trace = 2.451789429141008 (1.179e-09% change) linmin: converged after 13 iterations. iteration 1234: trace = 2.451789429114767 (1.07027e-09% change) large trace change predicted (4.98311e-09%) linmin: converged after 13 iterations. iteration 1235: trace = 2.451789428992588 (4.98328e-09% change) linmin: converged after 7 iterations. iteration 1236: trace = 2.451789428889057 (4.22265e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.451789428750713 (5.64259e-09% change) linmin: converged after 6 iterations. iteration 1238: trace = 2.451789428636791 (4.64649e-09% change) linmin: converged after 23 iterations. iteration 1239: trace = 2.451789428573698 (2.57333e-09% change) linmin: converged after 25 iterations. iteration 1240: trace = 2.451789428501932 (2.92709e-09% change) linmin: converged after 4 iterations. iteration 1241: trace = 2.451789428367449 (5.4851e-09% change) linmin: converged after 7 iterations. iteration 1242: trace = 2.451789428301485 (2.69043e-09% change) linmin: converged after 15 iterations. iteration 1243: trace = 2.451789428209839 (3.73791e-09% change) linmin: converged after 7 iterations. iteration 1244: trace = 2.451789428077432 (5.40042e-09% change) linmin: converged after 10 iterations. iteration 1245: trace = 2.451789428051183 (1.07063e-09% change) large trace change predicted (3.33472e-09%) linmin: converged after 6 iterations. iteration 1246: trace = 2.451789427969422 (3.33474e-09% change) linmin: converged after 21 iterations. iteration 1247: trace = 2.451789427905822 (2.59402e-09% change) linmin: converged after 5 iterations. iteration 1248: trace = 2.451789427872414 (1.36261e-09% change) linmin: converged after 2 iterations. iteration 1249: trace = 2.451789427854515 (7.30039e-10% change) large trace change predicted (2.74135e-09%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789427787304 (2.74129e-09% change) linmin: converged after 4 iterations. iteration 1251: trace = 2.4517894277653 (8.97456e-10% change) large trace change predicted (3.07357e-09%) linmin: converged after 4 iterations. iteration 1252: trace = 2.451789427689944 (3.07354e-09% change) linmin: converged after 4 iterations. iteration 1253: trace = 2.451789427560839 (5.26575e-09% change) linmin: converged after 21 iterations. iteration 1254: trace = 2.451789427489167 (2.92323e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.451789427367215 (4.97401e-09% change) large trace change predicted (1.13653e-08%) linmin: converged after 9 iterations. iteration 1256: trace = 2.451789427088565 (1.13652e-08% change) linmin: converged after 25 iterations. iteration 1257: trace = 2.451789427034026 (2.22446e-09% change) large trace change predicted (5.8214e-09%) linmin: converged after 3 iterations. iteration 1258: trace = 2.451789426891299 (5.82135e-09% change) large trace change predicted (1.70939e-08%) linmin: converged after 12 iterations. iteration 1259: trace = 2.451789426472192 (1.70939e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.45178942633047 (5.78038e-09% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.451789426050092 (1.14356e-08% change) linmin: converged after 3 iterations. iteration 1262: trace = 2.451789425965532 (3.44894e-09% change) linmin: converged after 25 iterations. iteration 1263: trace = 2.451789425913284 (2.13101e-09% change) large trace change predicted (7.87345e-09%) linmin: converged after 6 iterations. iteration 1264: trace = 2.451789425720243 (7.87344e-09% change) linmin: converged after 4 iterations. iteration 1265: trace = 2.451789425624157 (3.91903e-09% change) linmin: converged after 6 iterations. iteration 1266: trace = 2.451789425583533 (1.65693e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789425515695 (2.76687e-09% change) linmin: converged after 10 iterations. iteration 1268: trace = 2.451789425471868 (1.78756e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789425461069 (4.40432e-10% change) large trace change predicted (1.21908e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.451789425431179 (1.21914e-09% change) linmin: converged after 7 iterations. iteration 1271: trace = 2.451789425409211 (8.95989e-10% change) linmin: converged after 8 iterations. iteration 1272: trace = 2.451789425399951 (3.77689e-10% change) large trace change predicted (1.69179e-09%) linmin: converged after 14 iterations. iteration 1273: trace = 2.451789425358471 (1.69181e-09% change) linmin: converged after 10 iterations. iteration 1274: trace = 2.4517894253054 (2.16456e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789425291537 (5.65447e-10% change) large trace change predicted (3.10991e-09%) linmin: converged after 29 iterations. iteration 1276: trace = 2.451789425215293 (3.10972e-09% change) linmin: converged after 9 iterations. iteration 1277: trace = 2.451789425169839 (1.85392e-09% change) linmin: converged after 4 iterations. iteration 1278: trace = 2.451789425142764 (1.10427e-09% change) large trace change predicted (2.48911e-09%) linmin: converged after 28 iterations. iteration 1279: trace = 2.451789425081737 (2.48909e-09% change) linmin: converged after 17 iterations. iteration 1280: trace = 2.451789425038114 (1.77923e-09% change) linmin: converged after 20 iterations. iteration 1281: trace = 2.451789425012373 (1.04991e-09% change) large trace change predicted (2.36906e-09%) linmin: converged after 19 iterations. iteration 1282: trace = 2.451789424954288 (2.36905e-09% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789424881408 (2.97252e-09% change) linmin: converged after 6 iterations. iteration 1284: trace = 2.451789424859067 (9.11222e-10% change) large trace change predicted (1.97791e-09%) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789424810575 (1.97782e-09% change) linmin: converged after 5 iterations. iteration 1286: trace = 2.451789424797249 (5.43549e-10% change) linmin: converged after 2 iterations. iteration 1287: trace = 2.451789424787988 (3.77707e-10% change) linmin: converged after 9 iterations. iteration 1288: trace = 2.451789424769927 (7.36632e-10% change) linmin: converged after 3 iterations. iteration 1289: trace = 2.451789424759082 (4.42352e-10% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789424746652 (5.06961e-10% change) linmin: converged after 15 iterations. iteration 1291: trace = 2.451789424727738 (7.71445e-10% change) linmin: converged after 6 iterations. iteration 1292: trace = 2.451789424696325 (1.28125e-09% change) linmin: converged after 20 iterations. iteration 1293: trace = 2.451789424646708 (2.02368e-09% change) linmin: converged after 3 iterations. iteration 1294: trace = 2.451789424624995 (8.8561e-10% change) linmin: converged after 4 iterations. iteration 1295: trace = 2.451789424582679 (1.72592e-09% change) linmin: converged after 19 iterations. iteration 1296: trace = 2.451789424514609 (2.77636e-09% change) linmin: converged after 17 iterations. iteration 1297: trace = 2.451789424458625 (2.28338e-09% change) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789424434578 (9.80793e-10% change) large trace change predicted (2.00579e-09%) linmin: converged after 28 iterations. iteration 1299: trace = 2.451789424385399 (2.00584e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789424373457 (4.87055e-10% change) linmin: converged after 13 iterations. iteration 1301: trace = 2.451789424352686 (8.47211e-10% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.451789424326153 (1.08219e-09% change) linmin: converged after 6 iterations. iteration 1303: trace = 2.451789424316783 (3.82145e-10% change) large trace change predicted (7.82094e-10%) linmin: converged after 4 iterations. iteration 1304: trace = 2.451789424297607 (7.82131e-10% change) linmin: converged after 2 iterations. iteration 1305: trace = 2.451789424280837 (6.83978e-10% change) linmin: converged after 3 iterations. iteration 1306: trace = 2.451789424269792 (4.50503e-10% change) linmin: converged after 3 iterations. iteration 1307: trace = 2.451789424258947 (4.42334e-10% change) linmin: converged after 14 iterations. iteration 1308: trace = 2.451789424242037 (6.89702e-10% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.451789424238177 (1.57419e-10% change) large trace change predicted (8.53542e-10%) linmin: converged after 9 iterations. iteration 1310: trace = 2.451789424217249 (8.53587e-10% change) linmin: converged after 3 iterations. iteration 1311: trace = 2.451789424189529 (1.13059e-09% change) linmin: converged after 6 iterations. iteration 1312: trace = 2.451789424178265 (4.59433e-10% change) large trace change predicted (1.61691e-09%) linmin: converged after 9 iterations. iteration 1313: trace = 2.45178942413862 (1.61697e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.45178942409771 (1.66861e-09% change) linmin: converged after 2 iterations. iteration 1315: trace = 2.451789424069971 (1.13135e-09% change) linmin: converged after 10 iterations. iteration 1316: trace = 2.451789424055502 (5.90135e-10% change) large trace change predicted (1.32059e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.451789424023125 (1.32057e-09% change) linmin: converged after 7 iterations. iteration 1318: trace = 2.451789424005262 (7.28572e-10% change) linmin: converged after 5 iterations. iteration 1319: trace = 2.451789423998121 (2.91255e-10% change) large trace change predicted (5.91963e-10%) linmin: converged after 3 iterations. iteration 1320: trace = 2.451789423983608 (5.91946e-10% change) linmin: converged after 10 iterations. iteration 1321: trace = 2.451789423965891 (7.22594e-10% change) linmin: converged after 12 iterations. iteration 1322: trace = 2.451789423961876 (1.6374e-10% change) large trace change predicted (7.43688e-10%) linmin: converged after 6 iterations. iteration 1323: trace = 2.451789423943642 (7.43732e-10% change) linmin: converged after 3 iterations. iteration 1324: trace = 2.451789423933228 (4.24747e-10% change) linmin: converged after 4 iterations. iteration 1325: trace = 2.451789423927857 (2.19039e-10% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.451789423917455 (4.24276e-10% change) linmin: converged after 9 iterations. iteration 1327: trace = 2.451789423909991 (3.04441e-10% change) linmin: converged after 2 iterations. iteration 1328: trace = 2.451789423907408 (1.05363e-10% change) linmin: converged after 4 iterations. iteration 1329: trace = 2.451789423902709 (1.91652e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1330: trace = 2.451789423898401 (1.75695e-10% change) linmin: converged after 2 iterations. iteration 1331: trace = 2.451789423896146 (9.19952e-11% change) Finished solving for bands 1 to 10 after 1331 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: 14.883981704711914 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528837144101088 (1.93409% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510711672753705 (0.719329% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494946262142725 (0.629904% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491434398433245 (0.140858% change) large trace change predicted (0.375527%) linmin: converged after 5 iterations. iteration 5: trace = 2.481386932214534 (0.404095% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478822411782144 (0.103404% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784833099634 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473422271563139 (0.0954723% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472472277116471 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471069817285736 (0.0567391% change) linmin: converged after 4 iterations. iteration 11: trace = 2.47069005550509 (0.0153695% change) large trace change predicted (0.041569%) linmin: converged after 4 iterations. iteration 12: trace = 2.469654027781367 (0.0419415% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044790298169 (0.024672% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468578153041807 (0.0189013% change) linmin: converged after 3 iterations. iteration 15: trace = 2.46772935259715 (0.0343901% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467453659759489 (0.0111725% change) large trace change predicted (0.040825%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432849445078 (0.0413796% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466144400287775 (0.0116957% change) linmin: converged after 3 iterations. iteration 19: trace = 2.465690405805186 (0.0184108% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465065226623674 (0.0253584% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844680960884 (0.00894725% change) large trace change predicted (0.0298116%) linmin: converged after 4 iterations. iteration 22: trace = 2.46410766570155 (0.0299056% change) linmin: converged after 5 iterations. iteration 23: trace = 2.463925385275071 (0.00739769% change) large trace change predicted (0.020507%) linmin: converged after 3 iterations. iteration 24: trace = 2.463418238675001 (0.020585% change) linmin: converged after 3 iterations. iteration 25: trace = 2.462918451499312 (0.0202904% change) linmin: converged after 4 iterations. iteration 26: trace = 2.46269333115662 (0.00914081% change) large trace change predicted (0.0279878%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009938576595 (0.0277537% change) linmin: converged after 3 iterations. iteration 28: trace = 2.461750969845323 (0.0105191% change) large trace change predicted (0.0224545%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203982882885 (0.0222219% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687759561562 (0.0209766% change) linmin: converged after 4 iterations. iteration 31: trace = 2.46047249027639 (0.00874872% change) large trace change predicted (0.0259481%) linmin: converged after 4 iterations. iteration 32: trace = 2.45984555042177 (0.0254837% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459428146494281 (0.0169701% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459158004805552 (0.0109845% change) large trace change predicted (0.0241649%) linmin: converged after 5 iterations. iteration 35: trace = 2.458587282933351 (0.0232107% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458222627658687 (0.014833% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457860617805063 (0.0147276% change) linmin: converged after 6 iterations. iteration 38: trace = 2.457514272174556 (0.0140923% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457346014126641 (0.00684691% change) linmin: converged after 5 iterations. iteration 40: trace = 2.457030853276776 (0.0128261% change) linmin: converged after 4 iterations. iteration 41: trace = 2.45693765266256 (0.00379329% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456771320436845 (0.00677013% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456645351686772 (0.00512754% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456575410096637 (0.00284708% change) large trace change predicted (0.00679009%) linmin: converged after 4 iterations. iteration 45: trace = 2.456410372810355 (0.00671841% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322832787523 (0.0035638% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456238501452479 (0.00343329% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190989328194 (0.00193436% change) large trace change predicted (0.00555283%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054864235818 (0.00554228% change) linmin: converged after 5 iterations. iteration 50: trace = 2.456008967980405 (0.00186872% change) large trace change predicted (0.00438774%) linmin: converged after 14 iterations. iteration 51: trace = 2.455901025159287 (0.00439515% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832756354473 (0.00277983% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712901252932 (0.00488055% change) linmin: converged after 3 iterations. iteration 54: trace = 2.455665549035393 (0.00192827% change) large trace change predicted (0.00469202%) linmin: converged after 7 iterations. iteration 55: trace = 2.455549800101694 (0.00471366% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455473267179046 (0.00311678% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455355800499034 (0.00478399% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455240836232676 (0.00468229% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455057206313951 (0.00747938% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454879346283106 (0.0072449% change) linmin: converged after 3 iterations. iteration 61: trace = 2.45474718763364 (0.00538365% change) linmin: converged after 3 iterations. iteration 62: trace = 2.45455917585867 (0.0076594% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454456709871844 (0.0041746% change) large trace change predicted (0.00930707%) linmin: converged after 3 iterations. iteration 64: trace = 2.454226530789327 (0.00937845% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454125453845773 (0.00411857% change) linmin: converged after 3 iterations. iteration 66: trace = 2.45393843896493 (0.00762072% change) linmin: converged after 3 iterations. iteration 67: trace = 2.453809332508527 (0.00526133% change) linmin: converged after 4 iterations. iteration 68: trace = 2.45362324043232 (0.00758409% change) linmin: converged after 4 iterations. iteration 69: trace = 2.453502728342915 (0.00491172% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453443473864709 (0.00241513% change) large trace change predicted (0.00624518%) linmin: converged after 3 iterations. iteration 71: trace = 2.453290319710093 (0.00624261% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453140013178051 (0.00612692% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453048070168505 (0.00374804% change) large trace change predicted (0.00966999%) linmin: converged after 4 iterations. iteration 74: trace = 2.45281158783032 (0.00964081% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613961770266 (0.00805745% change) linmin: converged after 4 iterations. iteration 76: trace = 2.452556938619393 (0.00232502% change) large trace change predicted (0.00551891%) linmin: converged after 4 iterations. iteration 77: trace = 2.452422196720125 (0.00549409% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452338565586825 (0.0034102% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304944017345 (0.00137101% change) large trace change predicted (0.00452394%) linmin: converged after 5 iterations. iteration 80: trace = 2.452194106896805 (0.00451981% change) linmin: converged after 3 iterations. iteration 81: trace = 2.4520834556652 (0.00451244% change) linmin: converged after 9 iterations. iteration 82: trace = 2.452050351720711 (0.00135004% change) large trace change predicted (0.00425318%) linmin: converged after 6 iterations. iteration 83: trace = 2.451945720235246 (0.00426719% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451876129728667 (0.00283822% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451839194139111 (0.00150643% change) large trace change predicted (0.00517212%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711810360066 (0.00519557% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670785797656 (0.00167332% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615919665677 (0.00223793% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451566002120078 (0.00203613% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451543352722237 (0.000923879% change) large trace change predicted (0.00192297%) linmin: converged after 3 iterations. iteration 91: trace = 2.4514961082691 (0.00192715% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437990311763 (0.00237074% change) linmin: converged after 3 iterations. iteration 93: trace = 2.451416997793539 (0.000856339% change) linmin: converged after 4 iterations. iteration 94: trace = 2.451380284403808 (0.00149765% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451331365818682 (0.00199557% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451320536875905 (0.000441759% change) large trace change predicted (0.00157663%) linmin: converged after 3 iterations. iteration 97: trace = 2.45128177486721 (0.00158128% change) linmin: converged after 3 iterations. iteration 98: trace = 2.45125233858143 (0.00120086% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242924904273 (0.000384036% change) large trace change predicted (0.00130178%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210996807494 (0.00130254% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185656514481 (0.00103379% change) linmin: converged after 3 iterations. iteration 102: trace = 2.451170025051649 (0.000637712% change) large trace change predicted (0.00233872%) linmin: converged after 3 iterations. iteration 103: trace = 2.451112740206607 (0.00233707% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451070231580862 (0.00173427% change) linmin: converged after 3 iterations. iteration 105: trace = 2.451014769206532 (0.00226281% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936724154598 (0.00318424% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891839745693 (0.00183133% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830917403893 (0.00248575% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450790045151924 (0.0016677% change) linmin: converged after 6 iterations. iteration 110: trace = 2.450777141375731 (0.000526516% change) large trace change predicted (0.00118302%) linmin: converged after 3 iterations. iteration 111: trace = 2.450748142613185 (0.00118325% change) linmin: converged after 13 iterations. iteration 112: trace = 2.450708890840461 (0.00160164% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450696134419812 (0.000520521% change) large trace change predicted (0.00227143%) linmin: converged after 3 iterations. iteration 114: trace = 2.450640397580846 (0.00227435% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450617101321687 (0.000950624% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450597217380087 (0.000811388% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450568007579452 (0.00119195% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450560319921201 (0.00031371% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450545024975539 (0.000624143% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450518404300662 (0.00108632% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450508387982986 (0.000408744% change) large trace change predicted (0.00138379%) linmin: converged after 7 iterations. iteration 122: trace = 2.450474506612037 (0.00138264% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413556460949 (0.00248731% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450400088317601 (0.000549629% change) large trace change predicted (0.00263753%) linmin: converged after 4 iterations. iteration 125: trace = 2.450335591490357 (0.00263213% change) linmin: converged after 4 iterations. iteration 126: trace = 2.450316536614384 (0.000777647% change) large trace change predicted (0.00253486%) linmin: converged after 4 iterations. iteration 127: trace = 2.450254483191652 (0.0025325% change) linmin: converged after 4 iterations. iteration 128: trace = 2.450208390493367 (0.00188116% change) linmin: converged after 3 iterations. iteration 129: trace = 2.450189943776025 (0.000752866% change) large trace change predicted (0.00217169%) linmin: converged after 6 iterations. iteration 130: trace = 2.450136822012825 (0.00216809% change) linmin: converged after 4 iterations. iteration 131: trace = 2.450076609581294 (0.00245754% change) linmin: converged after 5 iterations. iteration 132: trace = 2.450058628619523 (0.000733897% change) linmin: converged after 3 iterations. iteration 133: trace = 2.450024571111197 (0.00139008% change) linmin: converged after 4 iterations. iteration 134: trace = 2.449978521675082 (0.00187957% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968939587747 (0.00039111% change) large trace change predicted (0.00120172%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939491931042 (0.00120197% change) linmin: converged after 3 iterations. iteration 137: trace = 2.449919853211363 (0.000801603% change) linmin: converged after 7 iterations. iteration 138: trace = 2.449913116929206 (0.00027496% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900799553307 (0.000502769% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.44989509736039 (0.000232752% change) linmin: converged after 3 iterations. iteration 141: trace = 2.449892471065267 (0.0001072% change) large trace change predicted (0.000347558%) linmin: converged after 5 iterations. iteration 142: trace = 2.449883955469526 (0.000347591% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876989552176 (0.000284337% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449872305996526 (0.000191175% change) large trace change predicted (0.000699865%) linmin: converged after 3 iterations. iteration 145: trace = 2.449855131727066 (0.00070103% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848659082805 (0.000264206% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839982877293 (0.000354153% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826930003136 (0.000532807% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449820253958989 (0.000272511% change) linmin: converged after 4 iterations. iteration 150: trace = 2.449813772192957 (0.000264582% change) linmin: converged after 4 iterations. iteration 151: trace = 2.449804842722509 (0.000364497% change) linmin: converged after 4 iterations. iteration 152: trace = 2.449797862754534 (0.00028492% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789962034993 (0.000322505% change) linmin: converged after 4 iterations. iteration 154: trace = 2.449775258741311 (0.000600188% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770996903582 (0.000173969% change) large trace change predicted (0.000422505%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760645910153 (0.00042253% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754667862339 (0.000244026% change) linmin: converged after 4 iterations. iteration 158: trace = 2.44975182522665 (0.000116038% change) linmin: converged after 4 iterations. iteration 159: trace = 2.449748147461519 (0.000150128% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449744135774838 (0.000163759% change) linmin: converged after 2 iterations. iteration 161: trace = 2.44974298219707 (4.70897e-05% change) large trace change predicted (0.000195387%) linmin: converged after 4 iterations. iteration 162: trace = 2.449738195504138 (0.000195396% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731883810174 (0.000257648% change) linmin: converged after 5 iterations. iteration 164: trace = 2.449729788935106 (8.55145e-05% change) large trace change predicted (0.000361176%) linmin: converged after 4 iterations. iteration 165: trace = 2.449720935119363 (0.000361421% change) linmin: converged after 4 iterations. iteration 166: trace = 2.449713984811926 (0.000283719% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711616593187 (9.66733e-05% change) large trace change predicted (0.000267712%) linmin: converged after 3 iterations. iteration 168: trace = 2.449705056526103 (0.00026779% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697479136625 (0.000309319% change) linmin: converged after 4 iterations. iteration 170: trace = 2.449695009038454 (0.000100833% change) large trace change predicted (0.00033326%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686835188704 (0.000333669% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449678068141425 (0.000357885% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674620436259 (0.000140741% change) linmin: converged after 3 iterations. iteration 174: trace = 2.449667736000943 (0.000281035% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449660062048019 (0.000313266% change) linmin: converged after 5 iterations. iteration 176: trace = 2.449658050831357 (8.21019e-05% change) large trace change predicted (0.000242892%) linmin: converged after 3 iterations. iteration 177: trace = 2.449652101392311 (0.000242868% change) linmin: converged after 3 iterations. iteration 178: trace = 2.449647975257877 (0.000168438% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645960035564 (8.22658e-05% change) large trace change predicted (0.000189528%) linmin: converged after 3 iterations. iteration 180: trace = 2.449641318874891 (0.000189463% change) linmin: converged after 4 iterations. iteration 181: trace = 2.449636493030962 (0.000197002% change) linmin: converged after 3 iterations. iteration 182: trace = 2.449634567816937 (7.85919e-05% change) large trace change predicted (0.000269852%) linmin: converged after 4 iterations. iteration 183: trace = 2.44962797500721 (0.000269135% change) linmin: converged after 5 iterations. iteration 184: trace = 2.449623121959413 (0.000198114% change) linmin: converged after 3 iterations. iteration 185: trace = 2.449620156767622 (0.000121047% change) large trace change predicted (0.00033474%) linmin: converged after 5 iterations. iteration 186: trace = 2.449611974042299 (0.000334041% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608274342377 (0.000151032% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605603468908 (0.000109033% change) large trace change predicted (0.000303792%) linmin: converged after 6 iterations. iteration 189: trace = 2.449598166902393 (0.000303583% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593700702401 (0.000182324% change) linmin: converged after 10 iterations. iteration 191: trace = 2.449588491334824 (0.000212663% change) large trace change predicted (0.000567898%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574576404544 (0.000568053% change) linmin: converged after 3 iterations. iteration 193: trace = 2.449571572593163 (0.000122626% change) large trace change predicted (0.000455898%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560390810319 (0.00045648% change) linmin: converged after 10 iterations. iteration 195: trace = 2.449553545453711 (0.000279453% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550814840461 (0.000111474% change) linmin: converged after 3 iterations. iteration 197: trace = 2.449546101111688 (0.000192433% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540224470458 (0.000239908% change) linmin: converged after 3 iterations. iteration 199: trace = 2.44953855878879 (6.79998e-05% change) large trace change predicted (0.000253835%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532334202609 (0.000254113% change) linmin: converged after 5 iterations. iteration 201: trace = 2.44952807023952 (0.000174073% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524675718686 (0.000138579% change) large trace change predicted (0.000363656%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515761206267 (0.000363929% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449505871546935 (0.00040374% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500416768135 (0.000222689% change) linmin: converged after 4 iterations. iteration 206: trace = 2.449492776858297 (0.000311897% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449486071826513 (0.000273732% change) linmin: converged after 4 iterations. iteration 208: trace = 2.449478184847106 (0.000321986% change) large trace change predicted (0.000695923%) linmin: converged after 4 iterations. iteration 209: trace = 2.449461141385048 (0.000695802% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449458009874645 (0.000127845% change) linmin: converged after 4 iterations. iteration 211: trace = 2.449453855238959 (0.000169615% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449448044422702 (0.000237229% change) linmin: converged after 4 iterations. iteration 213: trace = 2.449446022074288 (8.25635e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.449442062112351 (0.000161668% change) linmin: converged after 4 iterations. iteration 215: trace = 2.449436773105365 (0.000215927% change) linmin: converged after 4 iterations. iteration 216: trace = 2.44943589443072 (3.58725e-05% change) large trace change predicted (0.000116171%) linmin: converged after 3 iterations. iteration 217: trace = 2.449433049414264 (0.00011615% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431169894301 (7.67329e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.449430316610518 (3.4836e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.449428815682392 (6.12766e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449426886296315 (7.87688e-05% change) linmin: converged after 9 iterations. iteration 222: trace = 2.449426110049334 (3.1691e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424583576877 (6.23196e-05% change) linmin: converged after 14 iterations. iteration 224: trace = 2.449422177608835 (9.82259e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.449421400167895 (3.17398e-05% change) large trace change predicted (0.000126421%) linmin: converged after 4 iterations. iteration 226: trace = 2.44941830446087 (0.000126385% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449416288047169 (8.23222e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415233204822 (4.30651e-05% change) large trace change predicted (0.000126493%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412133808932 (0.000126536% change) linmin: converged after 4 iterations. iteration 230: trace = 2.449410245408811 (7.70961e-05% change) linmin: converged after 4 iterations. iteration 231: trace = 2.449408597212544 (6.72895e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.44940658761252 (8.20443e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.449404955048069 (6.66514e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.449404298764512 (2.67936e-05% change) large trace change predicted (8.13332e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.449402304739231 (8.14086e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449400135899622 (8.85457e-05% change) linmin: converged after 5 iterations. iteration 237: trace = 2.449399603363967 (2.17415e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398578709059 (4.18329e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397409023515 (4.7754e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.449397132392594 (1.12938e-05% change) large trace change predicted (3.94592e-05%) linmin: converged after 3 iterations. iteration 241: trace = 2.449396165681044 (3.94673e-05% change) linmin: converged after 4 iterations. iteration 242: trace = 2.449395491180595 (2.75374e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.449394849925869 (2.61801e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.449393703781571 (4.6793e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449392794402241 (3.71267e-05% change) linmin: converged after 4 iterations. iteration 246: trace = 2.449391766394805 (4.19699e-05% change) large trace change predicted (8.53333e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.449389677159237 (8.52961e-05% change) linmin: converged after 13 iterations. iteration 248: trace = 2.449389140066594 (2.19276e-05% change) large trace change predicted (4.49087e-05%) linmin: converged after 3 iterations. iteration 249: trace = 2.449388040187619 (4.49042e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.449386738025438 (5.31628e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.44938585596244 (3.60116e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.449384461732729 (5.69216e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.449383034153637 (5.82832e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 2.449382610271748 (1.73057e-05% change) linmin: converged after 6 iterations. iteration 255: trace = 2.449381829053987 (3.18945e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380549962762 (5.2221e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.449380221449222 (1.34121e-05% change) large trace change predicted (4.09433e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.449379218625543 (4.09419e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378152144824 (4.35409e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.449377856990331 (1.20502e-05% change) large trace change predicted (3.20622e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.449377071662297 (3.20624e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449375867818666 (4.9149e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.449375539722112 (1.33951e-05% change) large trace change predicted (6.32584e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449373990734764 (6.32401e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.449372604608434 (5.65911e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371923383118 (2.78122e-05% change) large trace change predicted (8.50365e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.449369841620562 (8.49917e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.449368256681002 (6.47081e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.449367909077464 (1.41916e-05% change) large trace change predicted (4.61022e-05%) linmin: converged after 3 iterations. iteration 270: trace = 2.449366780005558 (4.60965e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366180997317 (2.44556e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.449365771970776 (1.66993e-05% change) large trace change predicted (5.3871e-05%) linmin: converged after 4 iterations. iteration 273: trace = 2.44936445253106 (5.38686e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449363809387581 (2.62576e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.449362907315849 (3.68288e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.449361971349374 (3.82127e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361534724328 (1.78261e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.449361001410574 (2.17736e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360461510595 (2.20425e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.449360265460889 (8.00412e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.449360081173603 (7.52389e-06% change) large trace change predicted (1.84137e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.449359630073908 (1.8417e-05% change) linmin: converged after 5 iterations. iteration 283: trace = 2.449359266900715 (1.48273e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.449358814716536 (1.84613e-05% change) large trace change predicted (4.88934e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.449357616658898 (4.89131e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.449357344805643 (1.1099e-05% change) large trace change predicted (3.39442e-05%) linmin: converged after 5 iterations. iteration 287: trace = 2.44935651315575 (3.39538e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.449356025212048 (1.99213e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355786710933 (9.7373e-06% change) large trace change predicted (2.84866e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449355088927439 (2.84885e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354262489948 (3.3741e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353853219319 (1.67093e-05% change) large trace change predicted (3.99251e-05%) linmin: converged after 5 iterations. iteration 293: trace = 2.449352875366185 (3.99229e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.449351925227472 (3.87914e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351673738211 (1.02676e-05% change) large trace change predicted (3.88778e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350721320726 (3.88845e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.449350193345986 (2.15557e-05% change) linmin: converged after 2 iterations. iteration 298: trace = 2.449349971926877 (9.03991e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349586495666 (1.57361e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.449349076722893 (2.08126e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348926051653 (6.15148e-06% change) large trace change predicted (2.48715e-05%) linmin: converged after 3 iterations. iteration 302: trace = 2.44934831675056 (2.4876e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347623103072 (2.83197e-05% change) linmin: converged after 4 iterations. iteration 304: trace = 2.449347408088148 (8.77846e-06% change) large trace change predicted (2.30366e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.449346843747093 (2.30405e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.449346150164915 (2.8317e-05% change) linmin: converged after 2 iterations. iteration 307: trace = 2.449345965388653 (7.5439e-06% change) large trace change predicted (2.90218e-05%) linmin: converged after 3 iterations. iteration 308: trace = 2.449345254482099 (2.90243e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344699606399 (2.2654e-05% change) linmin: converged after 2 iterations. iteration 310: trace = 2.449344492779663 (8.44417e-06% change) large trace change predicted (2.4756e-05%) linmin: converged after 4 iterations. iteration 311: trace = 2.449343886287976 (2.47614e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.449343032372118 (3.48631e-05% change) linmin: converged after 2 iterations. iteration 313: trace = 2.449342848721867 (7.49794e-06% change) large trace change predicted (3.10136e-05%) linmin: converged after 3 iterations. iteration 314: trace = 2.449342089011155 (3.10169e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.449341568951772 (2.12326e-05% change) linmin: converged after 7 iterations. iteration 316: trace = 2.449341403225356 (6.76616e-06% change) large trace change predicted (2.4394e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.449340805764115 (2.43927e-05% change) linmin: converged after 8 iterations. iteration 318: trace = 2.449340569193065 (9.65856e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.449340348169298 (9.02381e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339996913138 (1.43408e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.44933950485834 (2.00893e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.44933930666522 (8.0917e-06% change) large trace change predicted (3.38334e-05%) linmin: converged after 4 iterations. iteration 323: trace = 2.449338478785569 (3.38001e-05% change) linmin: converged after 4 iterations. iteration 324: trace = 2.449338063560336 (1.69525e-05% change) linmin: converged after 4 iterations. iteration 325: trace = 2.449337762321353 (1.22988e-05% change) large trace change predicted (2.83977e-05%) linmin: converged after 4 iterations. iteration 326: trace = 2.449337067073648 (2.83851e-05% change) linmin: converged after 5 iterations. iteration 327: trace = 2.449336618813468 (1.83013e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.449336224205357 (1.61108e-05% change) large trace change predicted (5.12503e-05%) linmin: converged after 3 iterations. iteration 329: trace = 2.449334969117622 (5.1242e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.449334276775232 (2.82665e-05% change) linmin: converged after 4 iterations. iteration 331: trace = 2.449333676932155 (2.449e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.449332628017416 (4.28245e-05% change) linmin: converged after 4 iterations. iteration 333: trace = 2.449331717973631 (3.71548e-05% change) linmin: converged after 4 iterations. iteration 334: trace = 2.44933147004418 (1.01223e-05% change) large trace change predicted (3.32195e-05%) linmin: converged after 3 iterations. iteration 335: trace = 2.449330656233529 (3.32258e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330344782808 (1.27157e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.449330119286997 (9.20643e-06% change) large trace change predicted (2.24417e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.449329569518499 (2.24457e-05% change) linmin: converged after 4 iterations. iteration 339: trace = 2.449329356176578 (8.71022e-06% change) large trace change predicted (1.77085e-05%) linmin: converged after 5 iterations. iteration 340: trace = 2.449328922394217 (1.77103e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328418200736 (2.0585e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449327956913109 (1.88332e-05% change) linmin: converged after 3 iterations. iteration 343: trace = 2.449327703117327 (1.03619e-05% change) large trace change predicted (4.74847e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.449326539850719 (4.74933e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326179861205 (1.46975e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.449325483569212 (2.84279e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.4493245044811 (3.99738e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324262578144 (9.87631e-06% change) large trace change predicted (5.23194e-05%) linmin: converged after 4 iterations. iteration 349: trace = 2.449322980730016 (5.23348e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.449322160809095 (3.34754e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.449321958385354 (8.26448e-06% change) large trace change predicted (2.57974e-05%) linmin: converged after 4 iterations. iteration 352: trace = 2.449321326536859 (2.57969e-05% change) linmin: converged after 8 iterations. iteration 353: trace = 2.449320672224383 (2.6714e-05% change) linmin: converged after 4 iterations. iteration 354: trace = 2.44932048673264 (7.57319e-06% change) large trace change predicted (3.09042e-05%) linmin: converged after 3 iterations. iteration 355: trace = 2.449319729798455 (3.09038e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449319496838045 (9.51123e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.449319243343457 (1.03496e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.449318956131394 (1.17262e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.449318720424134 (9.62338e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.449318595353406 (5.10635e-06% change) large trace change predicted (1.25496e-05%) linmin: converged after 3 iterations. iteration 361: trace = 2.449318288019487 (1.25477e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.449318074970515 (8.6983e-06% change) linmin: converged after 8 iterations. iteration 363: trace = 2.449317972230345 (4.19464e-06% change) large trace change predicted (1.75236e-05%) linmin: converged after 3 iterations. iteration 364: trace = 2.449317543136585 (1.75189e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.44931739524868 (6.03792e-06% change) large trace change predicted (1.98222e-05%) linmin: converged after 4 iterations. iteration 366: trace = 2.449316909854885 (1.98175e-05% change) linmin: converged after 8 iterations. iteration 367: trace = 2.449316523524683 (1.5773e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.44931608507241 (1.7901e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315859882311 (9.194e-06% change) large trace change predicted (2.23776e-05%) linmin: converged after 6 iterations. iteration 370: trace = 2.449315311764823 (2.23784e-05% change) linmin: converged after 6 iterations. iteration 371: trace = 2.449315088025332 (9.13478e-06% change) linmin: converged after 3 iterations. iteration 372: trace = 2.44931481277411 (1.12379e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.449314442039888 (1.51362e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.44931430285036 (5.6828e-06% change) large trace change predicted (1.20012e-05%) linmin: converged after 4 iterations. iteration 375: trace = 2.449314008828787 (1.20042e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.449313651754205 (1.45786e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.449313566395385 (3.48501e-06% change) large trace change predicted (8.28558e-06%) linmin: converged after 4 iterations. iteration 378: trace = 2.449313363425803 (8.28679e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.449313182761634 (7.37612e-06% change) linmin: converged after 3 iterations. iteration 380: trace = 2.449313037505564 (5.93048e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.449312986502271 (2.08235e-06% change) large trace change predicted (7.89715e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.449312793065476 (7.89759e-06% change) linmin: converged after 2 iterations. iteration 383: trace = 2.449312695209416 (3.99525e-06% change) linmin: converged after 2 iterations. iteration 384: trace = 2.449312535545964 (6.5187e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.449312260348156 (1.12357e-05% change) linmin: converged after 2 iterations. iteration 386: trace = 2.449312144469256 (4.73108e-06% change) large trace change predicted (1.40761e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.449311799799908 (1.40721e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311602718343 (8.04641e-06% change) linmin: converged after 3 iterations. iteration 389: trace = 2.449311474799575 (5.22264e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.449311292570008 (7.44003e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.449310975542842 (1.29435e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.449310899060639 (3.1226e-06% change) large trace change predicted (1.08208e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310634082006 (1.08185e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.449310448739857 (7.56712e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449310372220896 (3.1241e-06% change) large trace change predicted (8.72731e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.449310158466814 (8.72711e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.449309961106934 (8.05777e-06% change) linmin: converged after 5 iterations. iteration 398: trace = 2.449309908776174 (2.13655e-06% change) large trace change predicted (8.18212e-06%) linmin: converged after 4 iterations. iteration 399: trace = 2.449309708390476 (8.18131e-06% change) linmin: converged after 9 iterations. iteration 400: trace = 2.449309605227242 (4.21193e-06% change) linmin: converged after 5 iterations. iteration 401: trace = 2.449309547519485 (2.35608e-06% change) large trace change predicted (8.91844e-06%) linmin: converged after 7 iterations. iteration 402: trace = 2.449309329092464 (8.9179e-06% change) linmin: converged after 9 iterations. iteration 403: trace = 2.449309195877247 (5.43889e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449309027621428 (6.86952e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.44930881350198 (8.74204e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308555803656 (1.05213e-05% change) linmin: converged after 3 iterations. iteration 407: trace = 2.449308499938442 (2.28086e-06% change) large trace change predicted (9.69207e-06%) linmin: converged after 4 iterations. iteration 408: trace = 2.449308262567019 (9.69137e-06% change) linmin: converged after 3 iterations. iteration 409: trace = 2.449308115750267 (5.99421e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.449308038586062 (3.15045e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.449307921481975 (4.78111e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.449307738646899 (7.46477e-06% change) linmin: converged after 3 iterations. iteration 413: trace = 2.449307677226047 (2.50768e-06% change) large trace change predicted (7.54735e-06%) linmin: converged after 3 iterations. iteration 414: trace = 2.449307492384728 (7.54668e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307365641262 (5.17467e-06% change) linmin: converged after 7 iterations. iteration 416: trace = 2.44930729654465 (2.82107e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.449307178631204 (4.81415e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.449307131147772 (1.93865e-06% change) linmin: converged after 8 iterations. iteration 419: trace = 2.449307085164923 (1.87738e-06% change) resetting CG direction... linmin: converged after 13 iterations. iteration 420: trace = 2.449307049567554 (1.45336e-06% change) linmin: converged after 10 iterations. iteration 421: trace = 2.449307019481626 (1.22834e-06% change) large trace change predicted (3.3429e-06%) linmin: converged after 5 iterations. iteration 422: trace = 2.44930693759834 (3.34312e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.449306854094915 (3.40927e-06% change) linmin: converged after 2 iterations. iteration 424: trace = 2.449306791183714 (2.56853e-06% change) large trace change predicted (8.28914e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930658813455 (8.29007e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.449306528088818 (2.45154e-06% change) large trace change predicted (5.9116e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.449306383299692 (5.91143e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449306280109983 (4.21302e-06% change) linmin: converged after 18 iterations. iteration 429: trace = 2.449306207157693 (2.97849e-06% change) linmin: converged after 2 iterations. iteration 430: trace = 2.449306096947162 (4.49966e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305942847953 (6.29155e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305864811908 (3.18605e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.449305745272748 (4.88053e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.449305521795074 (9.12412e-06% change) linmin: converged after 9 iterations. iteration 435: trace = 2.449305456739924 (2.65607e-06% change) large trace change predicted (6.3985e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305300006732 (6.39909e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.44930517326101 (5.17476e-06% change) linmin: converged after 30 iterations. iteration 438: trace = 2.449305107236137 (2.69566e-06% change) linmin: converged after 4 iterations. iteration 439: trace = 2.449305057642831 (2.02479e-06% change) large trace change predicted (5.37369e-06%) linmin: converged after 3 iterations. iteration 440: trace = 2.44930492601107 (5.37425e-06% change) linmin: converged after 4 iterations. iteration 441: trace = 2.449304893778804 (1.31598e-06% change) large trace change predicted (4.44584e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.4493047848723 (4.44643e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304644114528 (5.74685e-06% change) linmin: converged after 2 iterations. iteration 444: trace = 2.449304598994436 (1.84216e-06% change) large trace change predicted (5.35041e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.449304467930483 (5.35107e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304306820683 (6.57778e-06% change) linmin: converged after 3 iterations. iteration 447: trace = 2.449304265582622 (1.68366e-06% change) large trace change predicted (5.49801e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.449304130908514 (5.49846e-06% change) linmin: converged after 6 iterations. iteration 449: trace = 2.449304014972245 (4.73344e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.449303971814139 (1.76206e-06% change) large trace change predicted (5.55685e-06%) linmin: converged after 4 iterations. iteration 451: trace = 2.449303835700461 (5.55724e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303654214461 (7.4097e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.449303610012057 (1.80469e-06% change) large trace change predicted (6.94273e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.449303439956039 (6.94304e-06% change) linmin: converged after 5 iterations. iteration 455: trace = 2.449303323509997 (4.75425e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.449303289123852 (1.40392e-06% change) large trace change predicted (4.7498e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.449303172793141 (4.74954e-06% change) linmin: converged after 2 iterations. iteration 458: trace = 2.449303135588947 (1.51897e-06% change) linmin: converged after 3 iterations. iteration 459: trace = 2.449303094870868 (1.66244e-06% change) linmin: converged after 4 iterations. iteration 460: trace = 2.449303019803927 (3.06483e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302897576324 (4.9903e-06% change) linmin: converged after 5 iterations. iteration 462: trace = 2.449302859360591 (1.56027e-06% change) large trace change predicted (6.70789e-06%) linmin: converged after 5 iterations. iteration 463: trace = 2.449302695108535 (6.70607e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.449302546011946 (6.08731e-06% change) linmin: converged after 8 iterations. iteration 465: trace = 2.449302490861063 (2.2517e-06% change) large trace change predicted (5.95566e-06%) linmin: converged after 5 iterations. iteration 466: trace = 2.449302345014544 (5.95461e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.449302205243804 (5.70655e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.449302158032011 (1.92756e-06% change) large trace change predicted (9.55022e-06%) linmin: converged after 8 iterations. iteration 469: trace = 2.449301924126564 (9.54988e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.44930177375505 (6.13936e-06% change) linmin: converged after 4 iterations. iteration 471: trace = 2.449301704305741 (2.83547e-06% change) large trace change predicted (9.17937e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.449301479435142 (9.18101e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.449301322796896 (6.39522e-06% change) linmin: converged after 2 iterations. iteration 474: trace = 2.449301244712041 (3.18805e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.449301092151167 (6.22875e-06% change) linmin: converged after 7 iterations. iteration 476: trace = 2.449301026715231 (2.67162e-06% change) linmin: converged after 9 iterations. iteration 477: trace = 2.449300985887726 (1.6669e-06% change) large trace change predicted (4.51149e-06%) linmin: converged after 5 iterations. iteration 478: trace = 2.449300875376971 (4.51193e-06% change) linmin: converged after 3 iterations. iteration 479: trace = 2.449300815114744 (2.46038e-06% change) linmin: converged after 3 iterations. iteration 480: trace = 2.449300758174814 (2.32474e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.44930067173034 (3.52935e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.449300587228787 (3.45003e-06% change) linmin: converged after 2 iterations. iteration 483: trace = 2.4493005306775 (2.30887e-06% change) large trace change predicted (7.71062e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.44930034181928 (7.7107e-06% change) linmin: converged after 3 iterations. iteration 485: trace = 2.449300250733801 (3.71884e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.449300161431499 (3.64603e-06% change) large trace change predicted (8.14214e-06%) linmin: converged after 3 iterations. iteration 487: trace = 2.44929996199969 (8.1424e-06% change) linmin: converged after 2 iterations. iteration 488: trace = 2.449299829315783 (5.41722e-06% change) linmin: converged after 5 iterations. iteration 489: trace = 2.44929971558274 (4.64349e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.449299614873595 (4.11175e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.449299515496557 (4.05737e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.449299346715674 (6.89099e-06% change) linmin: converged after 3 iterations. iteration 493: trace = 2.449299255948535 (3.70584e-06% change) linmin: converged after 11 iterations. iteration 494: trace = 2.449299188609521 (2.74932e-06% change) large trace change predicted (6.502e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.449299029354541 (6.50206e-06% change) linmin: converged after 2 iterations. iteration 496: trace = 2.449298982267905 (1.92245e-06% change) linmin: converged after 3 iterations. iteration 497: trace = 2.449298922267009 (2.44972e-06% change) linmin: converged after 4 iterations. iteration 498: trace = 2.449298856924024 (2.66782e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.449298812338897 (1.82032e-06% change) linmin: converged after 6 iterations. iteration 500: trace = 2.449298770758761 (1.69763e-06% change) linmin: converged after 5 iterations. iteration 501: trace = 2.449298689011695 (3.33757e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298658961907 (1.22687e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.449298619017095 (1.63087e-06% change) large trace change predicted (3.52097e-06%) linmin: converged after 3 iterations. iteration 504: trace = 2.449298532787117 (3.5206e-06% change) linmin: converged after 5 iterations. iteration 505: trace = 2.449298481174352 (2.10725e-06% change) linmin: converged after 5 iterations. iteration 506: trace = 2.449298384392123 (3.95143e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298267165527 (4.78613e-06% change) linmin: converged after 11 iterations. iteration 508: trace = 2.449298214754474 (2.13984e-06% change) linmin: converged after 4 iterations. iteration 509: trace = 2.449298142013734 (2.96986e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.449298021093678 (4.93693e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.449297988915343 (1.31378e-06% change) large trace change predicted (2.95081e-06%) linmin: converged after 3 iterations. iteration 512: trace = 2.449297916635936 (2.95103e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.449297826598213 (3.67606e-06% change) linmin: converged after 4 iterations. iteration 514: trace = 2.449297791464257 (1.43445e-06% change) linmin: converged after 5 iterations. iteration 515: trace = 2.449297730045207 (2.50762e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.449297642997718 (3.55398e-06% change) linmin: converged after 5 iterations. iteration 517: trace = 2.449297627022216 (6.52248e-07% change) large trace change predicted (1.96595e-06%) linmin: converged after 4 iterations. iteration 518: trace = 2.449297578865893 (1.96613e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.449297545639531 (1.35657e-06% change) linmin: converged after 3 iterations. iteration 520: trace = 2.449297511318675 (1.40125e-06% change) linmin: converged after 24 iterations. iteration 521: trace = 2.449297503741991 (3.09341e-07% change) large trace change predicted (1.95132e-06%) linmin: converged after 7 iterations. iteration 522: trace = 2.449297455947105 (1.95137e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.449297418732712 (1.51939e-06% change) linmin: converged after 2 iterations. iteration 524: trace = 2.449297395042413 (9.67228e-07% change) large trace change predicted (2.83691e-06%) linmin: converged after 9 iterations. iteration 525: trace = 2.449297325559804 (2.83684e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.449297260078041 (2.67349e-06% change) linmin: converged after 5 iterations. iteration 527: trace = 2.449297223255078 (1.50341e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.44929716547675 (2.35898e-06% change) linmin: converged after 6 iterations. iteration 529: trace = 2.449297132861966 (1.3316e-06% change) linmin: converged after 2 iterations. iteration 530: trace = 2.449297110652364 (9.06774e-07% change) large trace change predicted (2.70051e-06%) linmin: converged after 10 iterations. iteration 531: trace = 2.449297044514214 (2.70029e-06% change) linmin: converged after 8 iterations. iteration 532: trace = 2.449297022401389 (9.02823e-07% change) large trace change predicted (2.11921e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.449296970498865 (2.11908e-06% change) linmin: converged after 4 iterations. iteration 534: trace = 2.449296917682469 (2.15639e-06% change) linmin: converged after 16 iterations. iteration 535: trace = 2.449296894191234 (9.59101e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.449296853827289 (1.64798e-06% change) linmin: converged after 13 iterations. iteration 537: trace = 2.449296810945106 (1.7508e-06% change) linmin: converged after 4 iterations. iteration 538: trace = 2.449296784310703 (1.08743e-06% change) linmin: converged after 18 iterations. iteration 539: trace = 2.449296755296496 (1.18459e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.449296728406488 (1.09787e-06% change) linmin: converged after 2 iterations. iteration 541: trace = 2.449296706548909 (8.92402e-07% change) linmin: converged after 3 iterations. iteration 542: trace = 2.449296675461285 (1.26925e-06% change) linmin: converged after 9 iterations. iteration 543: trace = 2.449296615667675 (2.44126e-06% change) linmin: converged after 4 iterations. iteration 544: trace = 2.449296597647832 (7.35715e-07% change) large trace change predicted (2.29256e-06%) linmin: converged after 5 iterations. iteration 545: trace = 2.449296541496903 (2.29253e-06% change) linmin: converged after 2 iterations. iteration 546: trace = 2.449296497076824 (1.81359e-06% change) linmin: converged after 3 iterations. iteration 547: trace = 2.449296449936804 (1.92464e-06% change) linmin: converged after 5 iterations. iteration 548: trace = 2.449296438694667 (4.58995e-07% change) large trace change predicted (1.8674e-06%) linmin: converged after 15 iterations. iteration 549: trace = 2.44929639295808 (1.86734e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.449296377175456 (6.44374e-07% change) linmin: converged after 5 iterations. iteration 551: trace = 2.449296358021786 (7.82007e-07% change) large trace change predicted (1.95771e-06%) linmin: converged after 3 iterations. iteration 552: trace = 2.449296310072562 (1.95767e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.449296288135467 (8.95649e-07% change) linmin: converged after 3 iterations. iteration 554: trace = 2.44929625332245 (1.42135e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.44929622235592 (1.2643e-06% change) linmin: converged after 3 iterations. iteration 556: trace = 2.449296200257592 (9.02232e-07% change) linmin: converged after 18 iterations. iteration 557: trace = 2.449296194492284 (2.35386e-07% change) large trace change predicted (5.87457e-07%) linmin: converged after 12 iterations. iteration 558: trace = 2.449296180103778 (5.87455e-07% change) linmin: converged after 3 iterations. iteration 559: trace = 2.449296156213487 (9.75394e-07% change) resetting CG direction... linmin: converged after 11 iterations. iteration 560: trace = 2.449296139516369 (6.81711e-07% change) linmin: converged after 3 iterations. iteration 561: trace = 2.449296123737712 (6.44212e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.449296117739779 (2.44884e-07% change) large trace change predicted (6.45192e-07%) linmin: converged after 2 iterations. iteration 563: trace = 2.44929610193654 (6.45216e-07% change) linmin: converged after 7 iterations. iteration 564: trace = 2.449296071966983 (1.2236e-06% change) linmin: converged after 5 iterations. iteration 565: trace = 2.449296042750958 (1.19283e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449296024848735 (7.30913e-07% change) large trace change predicted (1.49923e-06%) linmin: converged after 3 iterations. iteration 567: trace = 2.449295988127263 (1.49927e-06% change) linmin: converged after 6 iterations. iteration 568: trace = 2.449295966173403 (8.96333e-07% change) linmin: converged after 3 iterations. iteration 569: trace = 2.449295948458129 (7.2328e-07% change) linmin: converged after 4 iterations. iteration 570: trace = 2.449295918152168 (1.23733e-06% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295903580253 (5.94943e-07% change) large trace change predicted (1.21971e-06%) linmin: converged after 6 iterations. iteration 572: trace = 2.44929587370447 (1.21977e-06% change) linmin: converged after 7 iterations. iteration 573: trace = 2.449295839178804 (1.40962e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.449295820504812 (7.62423e-07% change) linmin: converged after 7 iterations. iteration 575: trace = 2.449295790032435 (1.24413e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.449295733940234 (2.29014e-06% change) linmin: converged after 7 iterations. iteration 577: trace = 2.449295726502287 (3.03677e-07% change) large trace change predicted (1.28226e-06%) linmin: converged after 3 iterations. iteration 578: trace = 2.449295695095425 (1.28228e-06% change) linmin: converged after 3 iterations. iteration 579: trace = 2.449295677555474 (7.16122e-07% change) linmin: converged after 4 iterations. iteration 580: trace = 2.449295669837208 (3.15122e-07% change) large trace change predicted (1.18034e-06%) linmin: converged after 10 iterations. iteration 581: trace = 2.449295640927469 (1.18033e-06% change) linmin: converged after 2 iterations. iteration 582: trace = 2.449295610473508 (1.24338e-06% change) linmin: converged after 5 iterations. iteration 583: trace = 2.449295586653462 (9.72526e-07% change) linmin: converged after 6 iterations. iteration 584: trace = 2.449295576280102 (4.23524e-07% change) large trace change predicted (1.534e-06%) linmin: converged after 3 iterations. iteration 585: trace = 2.449295538707587 (1.53401e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295514046768 (1.00685e-06% change) linmin: converged after 20 iterations. iteration 587: trace = 2.449295489900845 (9.85831e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.44929545518149 (1.41752e-06% change) linmin: converged after 6 iterations. iteration 589: trace = 2.449295439577288 (6.37089e-07% change) linmin: converged after 12 iterations. iteration 590: trace = 2.449295419044015 (8.38334e-07% change) linmin: converged after 17 iterations. iteration 591: trace = 2.449295388941043 (1.22905e-06% change) linmin: converged after 6 iterations. iteration 592: trace = 2.449295374472903 (5.90706e-07% change) large trace change predicted (1.26366e-06%) linmin: converged after 3 iterations. iteration 593: trace = 2.449295343521122 (1.2637e-06% change) linmin: converged after 6 iterations. iteration 594: trace = 2.449295300312172 (1.76414e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.449295288622138 (4.77282e-07% change) large trace change predicted (1.08827e-06%) linmin: converged after 4 iterations. iteration 596: trace = 2.449295261966441 (1.0883e-06% change) linmin: converged after 6 iterations. iteration 597: trace = 2.449295237917127 (9.81887e-07% change) linmin: converged after 2 iterations. iteration 598: trace = 2.44929523306943 (1.97922e-07% change) large trace change predicted (8.4233e-07%) linmin: converged after 3 iterations. iteration 599: trace = 2.449295212438389 (8.42326e-07% change) linmin: converged after 5 iterations. iteration 600: trace = 2.449295199383331 (5.33013e-07% change) linmin: converged after 3 iterations. iteration 601: trace = 2.449295188746692 (4.34273e-07% change) linmin: converged after 22 iterations. iteration 602: trace = 2.449295170454898 (7.46819e-07% change) large trace change predicted (1.59695e-06%) linmin: converged after 4 iterations. iteration 603: trace = 2.449295131346463 (1.59672e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449295122286956 (3.69882e-07% change) large trace change predicted (1.63109e-06%) linmin: converged after 5 iterations. iteration 605: trace = 2.449295082343127 (1.63083e-06% change) linmin: converged after 3 iterations. iteration 606: trace = 2.449295049366428 (1.34638e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.449295036934516 (5.07571e-07% change) large trace change predicted (1.7798e-06%) linmin: converged after 4 iterations. iteration 608: trace = 2.449294993343853 (1.77972e-06% change) linmin: converged after 4 iterations. iteration 609: trace = 2.449294953719603 (1.61778e-06% change) linmin: converged after 4 iterations. iteration 610: trace = 2.449294938654869 (6.15064e-07% change) large trace change predicted (1.64482e-06%) linmin: converged after 4 iterations. iteration 611: trace = 2.449294898367646 (1.64485e-06% change) linmin: converged after 5 iterations. iteration 612: trace = 2.449294845457496 (2.16022e-06% change) linmin: converged after 5 iterations. iteration 613: trace = 2.449294825968742 (7.95688e-07% change) linmin: converged after 3 iterations. iteration 614: trace = 2.449294792247052 (1.37679e-06% change) linmin: converged after 8 iterations. iteration 615: trace = 2.44929475606198 (1.47737e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294746197247 (4.02758e-07% change) linmin: converged after 5 iterations. iteration 617: trace = 2.449294729708607 (6.732e-07% change) linmin: converged after 3 iterations. iteration 618: trace = 2.449294706352008 (9.53605e-07% change) linmin: converged after 3 iterations. iteration 619: trace = 2.449294699814461 (2.66915e-07% change) large trace change predicted (9.96442e-07%) linmin: converged after 13 iterations. iteration 620: trace = 2.449294675407539 (9.96488e-07% change) linmin: converged after 3 iterations. iteration 621: trace = 2.44929465821362 (7.01995e-07% change) linmin: converged after 6 iterations. iteration 622: trace = 2.44929464891723 (3.79554e-07% change) large trace change predicted (9.64645e-07%) linmin: converged after 5 iterations. iteration 623: trace = 2.449294625289388 (9.64679e-07% change) linmin: converged after 8 iterations. iteration 624: trace = 2.449294586363405 (1.58927e-06% change) linmin: converged after 10 iterations. iteration 625: trace = 2.449294575482736 (4.44237e-07% change) large trace change predicted (1.6316e-06%) linmin: converged after 11 iterations. iteration 626: trace = 2.449294535521085 (1.63156e-06% change) linmin: converged after 14 iterations. iteration 627: trace = 2.449294498644519 (1.5056e-06% change) linmin: converged after 2 iterations. iteration 628: trace = 2.449294464918157 (1.37698e-06% change) linmin: converged after 3 iterations. iteration 629: trace = 2.449294442321281 (9.22587e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.449294422186787 (8.22053e-07% change) linmin: converged after 9 iterations. iteration 631: trace = 2.449294396381658 (1.05357e-06% change) linmin: converged after 6 iterations. iteration 632: trace = 2.449294362238312 (1.39401e-06% change) linmin: converged after 7 iterations. iteration 633: trace = 2.449294338344526 (9.75538e-07% change) linmin: converged after 5 iterations. iteration 634: trace = 2.449294320180821 (7.41589e-07% change) linmin: converged after 6 iterations. iteration 635: trace = 2.449294286904554 (1.35861e-06% change) linmin: converged after 3 iterations. iteration 636: trace = 2.449294279199916 (3.14566e-07% change) large trace change predicted (7.28229e-07%) linmin: converged after 3 iterations. iteration 637: trace = 2.44929426136358 (7.28223e-07% change) linmin: converged after 13 iterations. iteration 638: trace = 2.449294246402293 (6.10841e-07% change) linmin: converged after 4 iterations. iteration 639: trace = 2.449294241844778 (1.86075e-07% change) large trace change predicted (5.3334e-07%) linmin: converged after 3 iterations. iteration 640: trace = 2.449294228781833 (5.33335e-07% change) linmin: converged after 5 iterations. iteration 641: trace = 2.449294208417541 (8.31435e-07% change) linmin: converged after 6 iterations. iteration 642: trace = 2.44929420366359 (1.94095e-07% change) large trace change predicted (6.21256e-07%) linmin: converged after 5 iterations. iteration 643: trace = 2.44929418844689 (6.21269e-07% change) linmin: converged after 4 iterations. iteration 644: trace = 2.44929417081374 (7.19928e-07% change) linmin: converged after 6 iterations. iteration 645: trace = 2.449294156192174 (5.96971e-07% change) linmin: converged after 7 iterations. iteration 646: trace = 2.449294134450448 (8.87673e-07% change) linmin: converged after 6 iterations. iteration 647: trace = 2.449294101408626 (1.34903e-06% change) linmin: converged after 10 iterations. iteration 648: trace = 2.449294092843997 (3.49677e-07% change) large trace change predicted (9.28014e-07%) linmin: converged after 2 iterations. iteration 649: trace = 2.44929407011414 (9.28017e-07% change) linmin: converged after 18 iterations. iteration 650: trace = 2.449294045331221 (1.01184e-06% change) linmin: converged after 4 iterations. iteration 651: trace = 2.449294027022893 (7.47494e-07% change) linmin: converged after 13 iterations. iteration 652: trace = 2.449294016394596 (4.33933e-07% change) linmin: converged after 6 iterations. iteration 653: trace = 2.449293998291034 (7.39134e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.44929398467379 (5.55966e-07% change) linmin: converged after 6 iterations. iteration 655: trace = 2.449293972215588 (5.08645e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293952154898 (8.1904e-07% change) linmin: converged after 13 iterations. iteration 657: trace = 2.44929394853084 (1.47963e-07% change) large trace change predicted (3.87087e-07%) linmin: converged after 14 iterations. iteration 658: trace = 2.449293939049689 (3.87097e-07% change) linmin: converged after 5 iterations. iteration 659: trace = 2.44929393021082 (3.60874e-07% change) linmin: converged after 4 iterations. iteration 660: trace = 2.449293926079996 (1.68654e-07% change) linmin: converged after 11 iterations. iteration 661: trace = 2.44929392131666 (1.94478e-07% change) large trace change predicted (4.74801e-07%) linmin: converged after 19 iterations. iteration 662: trace = 2.449293909687332 (4.74803e-07% change) linmin: converged after 19 iterations. iteration 663: trace = 2.449293899591372 (4.12199e-07% change) linmin: converged after 4 iterations. iteration 664: trace = 2.449293892110688 (3.05422e-07% change) linmin: converged after 3 iterations. iteration 665: trace = 2.449293878001265 (5.76061e-07% change) linmin: converged after 18 iterations. iteration 666: trace = 2.449293864381239 (5.5608e-07% change) linmin: converged after 4 iterations. iteration 667: trace = 2.449293854184243 (4.16324e-07% change) linmin: converged after 7 iterations. iteration 668: trace = 2.449293838738548 (6.30618e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.449293833535442 (2.12433e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.44929382581705 (3.15127e-07% change) linmin: converged after 3 iterations. iteration 671: trace = 2.449293811246732 (5.94878e-07% change) linmin: converged after 6 iterations. iteration 672: trace = 2.449293806742569 (1.83896e-07% change) large trace change predicted (6.91905e-07%) linmin: converged after 5 iterations. iteration 673: trace = 2.44929378979617 (6.91889e-07% change) linmin: converged after 5 iterations. iteration 674: trace = 2.44929377809777 (4.77623e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.449293773745798 (1.77683e-07% change) large trace change predicted (4.50183e-07%) linmin: converged after 19 iterations. iteration 676: trace = 2.449293762719661 (4.50176e-07% change) linmin: converged after 5 iterations. iteration 677: trace = 2.449293752843245 (4.03235e-07% change) linmin: converged after 3 iterations. iteration 678: trace = 2.449293749075769 (1.53819e-07% change) large trace change predicted (3.54722e-07%) linmin: converged after 5 iterations. iteration 679: trace = 2.449293740387697 (3.54717e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.449293733225486 (2.92419e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293730398511 (1.1542e-07% change) large trace change predicted (3.21706e-07%) linmin: converged after 4 iterations. iteration 682: trace = 2.449293722518996 (3.21706e-07% change) linmin: converged after 6 iterations. iteration 683: trace = 2.449293709483081 (5.32232e-07% change) linmin: converged after 17 iterations. iteration 684: trace = 2.449293704746109 (1.93402e-07% change) large trace change predicted (6.26537e-07%) linmin: converged after 8 iterations. iteration 685: trace = 2.449293689400886 (6.26516e-07% change) linmin: converged after 6 iterations. iteration 686: trace = 2.449293678096656 (4.6153e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.449293673992631 (1.6756e-07% change) linmin: converged after 15 iterations. iteration 688: trace = 2.44929366704418 (2.83692e-07% change) linmin: converged after 13 iterations. iteration 689: trace = 2.44929365353481 (5.51562e-07% change) linmin: converged after 5 iterations. iteration 690: trace = 2.449293650774288 (1.12707e-07% change) large trace change predicted (3.02715e-07%) linmin: converged after 11 iterations. iteration 691: trace = 2.449293643359852 (3.02717e-07% change) linmin: converged after 6 iterations. iteration 692: trace = 2.449293633601513 (3.98414e-07% change) linmin: converged after 16 iterations. iteration 693: trace = 2.449293630428079 (1.29565e-07% change) large trace change predicted (4.17435e-07%) linmin: converged after 3 iterations. iteration 694: trace = 2.4492936202039 (4.17434e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.449293612396384 (3.18766e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.449293607856784 (1.85343e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.449293605924649 (7.88854e-08% change) large trace change predicted (1.77443e-07%) linmin: converged after 2 iterations. iteration 698: trace = 2.449293601578546 (1.77443e-07% change) linmin: converged after 9 iterations. iteration 699: trace = 2.44929359972101 (7.58397e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.449293598018375 (6.95153e-08% change) large trace change predicted (1.5936e-07%) linmin: converged after 6 iterations. iteration 701: trace = 2.449293594115195 (1.59359e-07% change) linmin: converged after 4 iterations. iteration 702: trace = 2.449293592217376 (7.74843e-08% change) large trace change predicted (1.68736e-07%) linmin: converged after 2 iterations. iteration 703: trace = 2.449293588084545 (1.68736e-07% change) linmin: converged after 2 iterations. iteration 704: trace = 2.449293581058216 (2.86872e-07% change) linmin: converged after 4 iterations. iteration 705: trace = 2.449293576099621 (2.0245e-07% change) linmin: converged after 6 iterations. iteration 706: trace = 2.449293569876556 (2.54076e-07% change) linmin: converged after 5 iterations. iteration 707: trace = 2.449293560747318 (3.72729e-07% change) linmin: converged after 12 iterations. iteration 708: trace = 2.449293556753346 (1.63066e-07% change) linmin: converged after 9 iterations. iteration 709: trace = 2.449293551304257 (2.22476e-07% change) linmin: converged after 6 iterations. iteration 710: trace = 2.449293543564851 (3.15985e-07% change) linmin: converged after 5 iterations. iteration 711: trace = 2.449293538864743 (1.91897e-07% change) linmin: converged after 7 iterations. iteration 712: trace = 2.449293532693439 (2.51963e-07% change) linmin: converged after 17 iterations. iteration 713: trace = 2.449293524354077 (3.4048e-07% change) linmin: converged after 9 iterations. iteration 714: trace = 2.449293514333686 (4.09113e-07% change) linmin: converged after 3 iterations. iteration 715: trace = 2.449293511313746 (1.23298e-07% change) large trace change predicted (5.71398e-07%) linmin: converged after 4 iterations. iteration 716: trace = 2.449293497318295 (5.71408e-07% change) linmin: converged after 4 iterations. iteration 717: trace = 2.449293493358292 (1.61679e-07% change) linmin: converged after 11 iterations. iteration 718: trace = 2.449293488546842 (1.96442e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.449293483822559 (1.92884e-07% change) linmin: converged after 16 iterations. iteration 720: trace = 2.449293479587449 (1.72911e-07% change) linmin: converged after 19 iterations. iteration 721: trace = 2.449293475271333 (1.76219e-07% change) linmin: converged after 21 iterations. iteration 722: trace = 2.449293467908468 (3.00612e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293462630085 (2.15506e-07% change) linmin: converged after 4 iterations. iteration 724: trace = 2.449293459317893 (1.35231e-07% change) large trace change predicted (3.70363e-07%) linmin: converged after 4 iterations. iteration 725: trace = 2.449293450246546 (3.70366e-07% change) linmin: converged after 15 iterations. iteration 726: trace = 2.449293443654011 (2.69161e-07% change) linmin: converged after 7 iterations. iteration 727: trace = 2.449293438012003 (2.30352e-07% change) linmin: converged after 3 iterations. iteration 728: trace = 2.449293429523784 (3.46558e-07% change) linmin: converged after 5 iterations. iteration 729: trace = 2.44929342229545 (2.95119e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293419940142 (9.61628e-08% change) large trace change predicted (2.83498e-07%) linmin: converged after 5 iterations. iteration 731: trace = 2.449293412996377 (2.83501e-07% change) linmin: converged after 6 iterations. iteration 732: trace = 2.449293403963086 (3.68812e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.449293401389367 (1.0508e-07% change) large trace change predicted (4.49462e-07%) linmin: converged after 5 iterations. iteration 734: trace = 2.449293390380424 (4.49474e-07% change) linmin: converged after 4 iterations. iteration 735: trace = 2.449293383518908 (2.80143e-07% change) linmin: converged after 2 iterations. iteration 736: trace = 2.449293380954825 (1.04687e-07% change) large trace change predicted (2.17679e-07%) linmin: converged after 3 iterations. iteration 737: trace = 2.449293375623224 (2.17679e-07% change) linmin: converged after 7 iterations. iteration 738: trace = 2.449293371305703 (1.76276e-07% change) linmin: converged after 19 iterations. iteration 739: trace = 2.449293369339138 (8.02911e-08% change) linmin: converged after 4 iterations. iteration 740: trace = 2.449293365944971 (1.38577e-07% change) linmin: converged after 14 iterations. iteration 741: trace = 2.449293361644429 (1.75583e-07% change) linmin: converged after 4 iterations. iteration 742: trace = 2.449293359172117 (1.0094e-07% change) large trace change predicted (4.30564e-07%) linmin: converged after 4 iterations. iteration 743: trace = 2.449293348627108 (4.30533e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293339660733 (3.6608e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293335554112 (1.67666e-07% change) large trace change predicted (3.53735e-07%) linmin: converged after 12 iterations. iteration 746: trace = 2.449293326890613 (3.53714e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.449293318665497 (3.35816e-07% change) linmin: converged after 9 iterations. iteration 748: trace = 2.449293315057429 (1.47311e-07% change) large trace change predicted (4.26494e-07%) linmin: converged after 7 iterations. iteration 749: trace = 2.449293304611297 (4.26496e-07% change) linmin: converged after 12 iterations. iteration 750: trace = 2.449293294311394 (4.20526e-07% change) linmin: converged after 9 iterations. iteration 751: trace = 2.449293289255472 (2.06424e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293280018245 (3.77138e-07% change) linmin: converged after 10 iterations. iteration 753: trace = 2.449293267540134 (5.09458e-07% change) linmin: converged after 20 iterations. iteration 754: trace = 2.449293264657573 (1.17689e-07% change) large trace change predicted (3.22369e-07%) linmin: converged after 3 iterations. iteration 755: trace = 2.449293256761499 (3.22382e-07% change) linmin: converged after 8 iterations. iteration 756: trace = 2.449293251959386 (1.96061e-07% change) linmin: converged after 8 iterations. iteration 757: trace = 2.449293249826806 (8.70692e-08% change) large trace change predicted (2.06428e-07%) linmin: converged after 12 iterations. iteration 758: trace = 2.449293244770709 (2.06431e-07% change) linmin: converged after 18 iterations. iteration 759: trace = 2.449293238355277 (2.6193e-07% change) linmin: converged after 5 iterations. iteration 760: trace = 2.449293237087708 (5.17524e-08% change) large trace change predicted (1.80806e-07%) linmin: converged after 7 iterations. iteration 761: trace = 2.449293232659205 (1.80807e-07% change) linmin: converged after 6 iterations. iteration 762: trace = 2.44929322606164 (2.69366e-07% change) linmin: converged after 9 iterations. iteration 763: trace = 2.449293223394916 (1.08877e-07% change) large trace change predicted (3.61192e-07%) linmin: converged after 2 iterations. iteration 764: trace = 2.449293214548246 (3.61193e-07% change) linmin: converged after 3 iterations. iteration 765: trace = 2.449293205193965 (3.81918e-07% change) linmin: converged after 5 iterations. iteration 766: trace = 2.449293201125669 (1.66101e-07% change) linmin: converged after 8 iterations. iteration 767: trace = 2.449293193162448 (3.25123e-07% change) linmin: converged after 3 iterations. iteration 768: trace = 2.449293182424715 (4.38401e-07% change) linmin: converged after 5 iterations. iteration 769: trace = 2.449293178830985 (1.46725e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 770: trace = 2.44929317546976 (1.37232e-07% change) large trace change predicted (3.73747e-07%) linmin: converged after 2 iterations. iteration 771: trace = 2.449293166315574 (3.73748e-07% change) linmin: converged after 3 iterations. iteration 772: trace = 2.44929315846576 (3.20493e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.44929315495879 (1.43183e-07% change) large trace change predicted (3.16421e-07%) linmin: converged after 7 iterations. iteration 774: trace = 2.44929314720854 (3.16428e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.449293140058008 (2.91943e-07% change) linmin: converged after 2 iterations. iteration 776: trace = 2.449293138002521 (8.39216e-08% change) large trace change predicted (2.13212e-07%) linmin: converged after 10 iterations. iteration 777: trace = 2.449293132780316 (2.13213e-07% change) linmin: converged after 7 iterations. iteration 778: trace = 2.449293129281565 (1.42847e-07% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449293128128955 (4.70589e-08% change) large trace change predicted (1.35043e-07%) linmin: converged after 4 iterations. iteration 780: trace = 2.449293124821369 (1.35042e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.449293121258736 (1.45456e-07% change) linmin: converged after 4 iterations. iteration 782: trace = 2.44929311910128 (8.80848e-08% change) linmin: converged after 6 iterations. iteration 783: trace = 2.449293115280751 (1.55985e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.449293111853526 (1.39927e-07% change) linmin: converged after 14 iterations. iteration 785: trace = 2.449293109437032 (9.86609e-08% change) large trace change predicted (3.36655e-07%) linmin: converged after 5 iterations. iteration 786: trace = 2.449293101191678 (3.36642e-07% change) linmin: converged after 5 iterations. iteration 787: trace = 2.449293095727374 (2.23097e-07% change) linmin: converged after 4 iterations. iteration 788: trace = 2.449293091821614 (1.59465e-07% change) linmin: converged after 15 iterations. iteration 789: trace = 2.449293086295314 (2.25628e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449293080561634 (2.34095e-07% change) linmin: converged after 2 iterations. iteration 791: trace = 2.449293078426813 (8.71607e-08% change) large trace change predicted (2.46351e-07%) linmin: converged after 6 iterations. iteration 792: trace = 2.449293072392799 (2.46357e-07% change) linmin: converged after 5 iterations. iteration 793: trace = 2.449293069152231 (1.32306e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.449293066604224 (1.0403e-07% change) large trace change predicted (2.246e-07%) linmin: converged after 4 iterations. iteration 795: trace = 2.449293061102695 (2.24617e-07% change) linmin: converged after 5 iterations. iteration 796: trace = 2.449293055970424 (2.09541e-07% change) linmin: converged after 4 iterations. iteration 797: trace = 2.449293055093487 (3.58037e-08% change) large trace change predicted (9.68202e-08%) linmin: converged after 8 iterations. iteration 798: trace = 2.449293052722054 (9.68211e-08% change) linmin: converged after 13 iterations. iteration 799: trace = 2.449293050635632 (8.51847e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449293049902752 (2.99221e-08% change) large trace change predicted (6.48395e-08%) linmin: converged after 6 iterations. iteration 801: trace = 2.449293048314648 (6.48393e-08% change) linmin: converged after 2 iterations. iteration 802: trace = 2.449293045530686 (1.13664e-07% change) linmin: converged after 2 iterations. iteration 803: trace = 2.449293044783246 (3.05165e-08% change) large trace change predicted (1.49984e-07%) linmin: converged after 5 iterations. iteration 804: trace = 2.449293041109706 (1.49984e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.449293037835683 (1.33672e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.449293036302333 (6.26038e-08% change) large trace change predicted (1.80641e-07%) linmin: converged after 17 iterations. iteration 807: trace = 2.449293031877972 (1.80638e-07% change) linmin: converged after 9 iterations. iteration 808: trace = 2.449293028662312 (1.31289e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.44929302752671 (4.63645e-08% change) large trace change predicted (9.32944e-08%) linmin: converged after 8 iterations. iteration 810: trace = 2.449293025241693 (9.32929e-08% change) linmin: converged after 3 iterations. iteration 811: trace = 2.449293021261713 (1.62495e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449293020253104 (4.11796e-08% change) large trace change predicted (1.8056e-07%) linmin: converged after 5 iterations. iteration 813: trace = 2.449293015830705 (1.80558e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.44929301286159 (1.21223e-07% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449293011809021 (4.29744e-08% change) large trace change predicted (1.01357e-07%) linmin: converged after 3 iterations. iteration 816: trace = 2.449293009326498 (1.01357e-07% change) linmin: converged after 5 iterations. iteration 817: trace = 2.449293006896677 (9.9205e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449293006182699 (2.91504e-08% change) large trace change predicted (9.92638e-08%) linmin: converged after 7 iterations. iteration 819: trace = 2.449293003751463 (9.92628e-08% change) linmin: converged after 5 iterations. iteration 820: trace = 2.449293002030192 (7.02763e-08% change) linmin: converged after 6 iterations. iteration 821: trace = 2.449293001374601 (2.67665e-08% change) large trace change predicted (8.7266e-08%) linmin: converged after 3 iterations. iteration 822: trace = 2.449292999237204 (8.72659e-08% change) linmin: converged after 10 iterations. iteration 823: trace = 2.449292996427486 (1.14715e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.449292995293548 (4.62965e-08% change) large trace change predicted (1.77985e-07%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929299093421 (1.77984e-07% change) linmin: converged after 7 iterations. iteration 826: trace = 2.449292988101405 (1.15658e-07% change) linmin: converged after 10 iterations. iteration 827: trace = 2.44929298704359 (4.31886e-08% change) linmin: converged after 19 iterations. iteration 828: trace = 2.449292985389739 (6.75236e-08% change) large trace change predicted (1.35412e-07%) linmin: converged after 4 iterations. iteration 829: trace = 2.449292982073099 (1.35412e-07% change) linmin: converged after 20 iterations. iteration 830: trace = 2.449292981038583 (4.22373e-08% change) linmin: converged after 5 iterations. iteration 831: trace = 2.449292979581831 (5.94764e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.449292977059207 (1.02994e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.44929297571305 (5.4961e-08% change) linmin: converged after 4 iterations. iteration 834: trace = 2.449292973709145 (8.18156e-08% change) linmin: converged after 4 iterations. iteration 835: trace = 2.449292971778197 (7.8837e-08% change) linmin: converged after 6 iterations. iteration 836: trace = 2.449292970830665 (3.8686e-08% change) linmin: converged after 3 iterations. iteration 837: trace = 2.449292970187867 (2.62442e-08% change) linmin: converged after 4 iterations. iteration 838: trace = 2.449292969148215 (4.2447e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.44929296765333 (6.10333e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292966516997 (4.63943e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.44929296553524 (4.00833e-08% change) linmin: converged after 23 iterations. iteration 842: trace = 2.449292964945507 (2.40777e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.44929296431191 (2.58686e-08% change) large trace change predicted (6.68789e-08%) linmin: converged after 3 iterations. iteration 844: trace = 2.449292962673861 (6.68784e-08% change) linmin: converged after 7 iterations. iteration 845: trace = 2.449292961727486 (3.86387e-08% change) linmin: converged after 10 iterations. iteration 846: trace = 2.449292959901877 (7.45362e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292957727475 (8.87767e-08% change) linmin: converged after 4 iterations. iteration 848: trace = 2.449292957010551 (2.92707e-08% change) large trace change predicted (7.55842e-08%) linmin: converged after 7 iterations. iteration 849: trace = 2.44929295515925 (7.55851e-08% change) linmin: converged after 2 iterations. iteration 850: trace = 2.449292953376194 (7.27988e-08% change) linmin: converged after 4 iterations. iteration 851: trace = 2.4492929527564 (2.5305e-08% change) large trace change predicted (8.82198e-08%) linmin: converged after 6 iterations. iteration 852: trace = 2.449292950595613 (8.82209e-08% change) linmin: converged after 9 iterations. iteration 853: trace = 2.449292949037878 (6.35994e-08% change) linmin: converged after 5 iterations. iteration 854: trace = 2.449292948192296 (3.45235e-08% change) large trace change predicted (1.13335e-07%) linmin: converged after 5 iterations. iteration 855: trace = 2.449292945416336 (1.13337e-07% change) linmin: converged after 21 iterations. iteration 856: trace = 2.449292941852989 (1.45485e-07% change) linmin: converged after 17 iterations. iteration 857: trace = 2.449292941376582 (1.94508e-08% change) large trace change predicted (7.74479e-08%) linmin: converged after 4 iterations. iteration 858: trace = 2.449292939479646 (7.74483e-08% change) linmin: converged after 6 iterations. iteration 859: trace = 2.449292938303175 (4.80331e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292937679294 (2.54719e-08% change) large trace change predicted (5.51063e-08%) linmin: converged after 4 iterations. iteration 861: trace = 2.449292936329576 (5.51064e-08% change) linmin: converged after 21 iterations. iteration 862: trace = 2.449292934521364 (7.38259e-08% change) linmin: converged after 6 iterations. iteration 863: trace = 2.449292933901537 (2.53063e-08% change) large trace change predicted (6.03564e-08%) linmin: converged after 7 iterations. iteration 864: trace = 2.449292932423224 (6.03567e-08% change) linmin: converged after 8 iterations. iteration 865: trace = 2.449292930161282 (9.23508e-08% change) linmin: converged after 10 iterations. iteration 866: trace = 2.449292929455031 (2.88349e-08% change) large trace change predicted (9.30406e-08%) linmin: converged after 12 iterations. iteration 867: trace = 2.449292927176179 (9.30412e-08% change) linmin: converged after 10 iterations. iteration 868: trace = 2.449292924992029 (8.91747e-08% change) linmin: converged after 14 iterations. iteration 869: trace = 2.449292923988375 (4.09773e-08% change) linmin: converged after 12 iterations. iteration 870: trace = 2.449292922605347 (5.64664e-08% change) linmin: converged after 9 iterations. iteration 871: trace = 2.449292920779901 (7.45295e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292918685492 (8.55108e-08% change) linmin: converged after 4 iterations. iteration 873: trace = 2.44929291800841 (2.7644e-08% change) large trace change predicted (1.14016e-07%) linmin: converged after 4 iterations. iteration 874: trace = 2.449292915215792 (1.14017e-07% change) linmin: converged after 5 iterations. iteration 875: trace = 2.44929291361982 (6.51605e-08% change) linmin: converged after 4 iterations. iteration 876: trace = 2.449292912871067 (3.05701e-08% change) linmin: converged after 9 iterations. iteration 877: trace = 2.449292911424819 (5.90476e-08% change) linmin: converged after 7 iterations. iteration 878: trace = 2.449292910408431 (4.14972e-08% change) linmin: converged after 6 iterations. iteration 879: trace = 2.449292909793558 (2.51041e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.44929290898091 (3.31789e-08% change) linmin: converged after 4 iterations. iteration 881: trace = 2.44929290806627 (3.7343e-08% change) linmin: converged after 4 iterations. iteration 882: trace = 2.44929290727124 (3.24596e-08% change) large trace change predicted (9.67249e-08%) linmin: converged after 4 iterations. iteration 883: trace = 2.44929290490224 (9.67218e-08% change) linmin: converged after 9 iterations. iteration 884: trace = 2.449292904160778 (3.02725e-08% change) large trace change predicted (8.96025e-08%) linmin: converged after 6 iterations. iteration 885: trace = 2.449292901966221 (8.95996e-08% change) linmin: converged after 5 iterations. iteration 886: trace = 2.44929289972297 (9.15877e-08% change) linmin: converged after 7 iterations. iteration 887: trace = 2.449292897413648 (9.42853e-08% change) linmin: converged after 19 iterations. iteration 888: trace = 2.449292896564435 (3.46717e-08% change) large trace change predicted (1.01455e-07%) linmin: converged after 4 iterations. iteration 889: trace = 2.449292894079502 (1.01455e-07% change) linmin: converged after 6 iterations. iteration 890: trace = 2.449292891667138 (9.84923e-08% change) linmin: converged after 6 iterations. iteration 891: trace = 2.449292890746482 (3.75887e-08% change) large trace change predicted (1.05414e-07%) linmin: converged after 5 iterations. iteration 892: trace = 2.449292888164544 (1.05416e-07% change) linmin: converged after 19 iterations. iteration 893: trace = 2.449292885333858 (1.15572e-07% change) linmin: converged after 4 iterations. iteration 894: trace = 2.449292884647774 (2.80115e-08% change) large trace change predicted (9.9413e-08%) linmin: converged after 5 iterations. iteration 895: trace = 2.4492928822128 (9.94154e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.449292880947331 (5.16667e-08% change) linmin: converged after 5 iterations. iteration 897: trace = 2.449292880420028 (2.15288e-08% change) large trace change predicted (5.31938e-08%) linmin: converged after 3 iterations. iteration 898: trace = 2.449292879117144 (5.31943e-08% change) linmin: converged after 3 iterations. iteration 899: trace = 2.449292877650967 (5.98612e-08% change) linmin: converged after 6 iterations. iteration 900: trace = 2.449292877083112 (2.31845e-08% change) large trace change predicted (5.21131e-08%) linmin: converged after 6 iterations. iteration 901: trace = 2.4492928758067 (5.21135e-08% change) linmin: converged after 4 iterations. iteration 902: trace = 2.449292874598924 (4.93112e-08% change) linmin: converged after 2 iterations. iteration 903: trace = 2.449292874139388 (1.8762e-08% change) large trace change predicted (8.74359e-08%) linmin: converged after 4 iterations. iteration 904: trace = 2.449292871997834 (8.74356e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.449292869810427 (8.93077e-08% change) linmin: converged after 2 iterations. iteration 906: trace = 2.449292868845343 (3.94026e-08% change) large trace change predicted (9.27477e-08%) linmin: converged after 3 iterations. iteration 907: trace = 2.449292866573722 (9.2746e-08% change) linmin: converged after 4 iterations. iteration 908: trace = 2.449292863820665 (1.12402e-07% change) linmin: converged after 3 iterations. iteration 909: trace = 2.44929286274603 (4.38753e-08% change) resetting CG direction... linmin: converged after 11 iterations. iteration 910: trace = 2.449292861805686 (3.83925e-08% change) large trace change predicted (1.02516e-07%) linmin: converged after 6 iterations. iteration 911: trace = 2.449292859294764 (1.02516e-07% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292857831646 (5.97364e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.449292856497538 (5.44691e-08% change) linmin: converged after 10 iterations. iteration 914: trace = 2.449292854502996 (8.14334e-08% change) linmin: converged after 4 iterations. iteration 915: trace = 2.449292853486259 (4.15115e-08% change) linmin: converged after 7 iterations. iteration 916: trace = 2.449292852459887 (4.19048e-08% change) linmin: converged after 7 iterations. iteration 917: trace = 2.449292851404 (4.31099e-08% change) linmin: converged after 19 iterations. iteration 918: trace = 2.449292850991684 (1.68341e-08% change) linmin: converged after 5 iterations. iteration 919: trace = 2.449292850252811 (3.01668e-08% change) linmin: converged after 4 iterations. iteration 920: trace = 2.44929284921926 (4.21979e-08% change) linmin: converged after 3 iterations. iteration 921: trace = 2.449292848413332 (3.29045e-08% change) linmin: converged after 4 iterations. iteration 922: trace = 2.449292847792552 (2.53453e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292846660278 (4.62286e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292845950938 (2.8961e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292845276142 (2.75507e-08% change) large trace change predicted (8.79617e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.449292843121746 (8.79599e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.449292842419515 (2.86708e-08% change) large trace change predicted (6.57092e-08%) linmin: converged after 4 iterations. iteration 928: trace = 2.449292840810117 (6.57087e-08% change) linmin: converged after 4 iterations. iteration 929: trace = 2.449292839353305 (5.94789e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.449292838182877 (4.77864e-08% change) linmin: converged after 7 iterations. iteration 931: trace = 2.449292837609488 (2.34104e-08% change) large trace change predicted (6.69155e-08%) linmin: converged after 7 iterations. iteration 932: trace = 2.449292835970498 (6.69169e-08% change) linmin: converged after 7 iterations. iteration 933: trace = 2.449292835326337 (2.62999e-08% change) linmin: converged after 6 iterations. iteration 934: trace = 2.449292834650464 (2.75946e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.449292833312189 (5.46393e-08% change) linmin: converged after 7 iterations. iteration 936: trace = 2.44929283279056 (2.12971e-08% change) linmin: converged after 6 iterations. iteration 937: trace = 2.449292831910993 (3.59111e-08% change) linmin: converged after 7 iterations. iteration 938: trace = 2.449292831236425 (2.75413e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292830765423 (1.92301e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.449292830607185 (6.46057e-09% change) large trace change predicted (1.90359e-08%) linmin: converged after 4 iterations. iteration 941: trace = 2.449292830140942 (1.90358e-08% change) linmin: converged after 23 iterations. iteration 942: trace = 2.449292829467444 (2.74977e-08% change) linmin: converged after 6 iterations. iteration 943: trace = 2.449292828985354 (1.96828e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292828446108 (2.20164e-08% change) linmin: converged after 4 iterations. iteration 945: trace = 2.449292827522693 (3.77013e-08% change) linmin: converged after 5 iterations. iteration 946: trace = 2.449292827074612 (1.82943e-08% change) large trace change predicted (3.82851e-08%) linmin: converged after 3 iterations. iteration 947: trace = 2.449292826136901 (3.8285e-08% change) linmin: converged after 7 iterations. iteration 948: trace = 2.449292825250533 (3.61887e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.44929282491948 (1.35163e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.449292824441765 (1.95042e-08% change) large trace change predicted (4.06965e-08%) linmin: converged after 6 iterations. iteration 951: trace = 2.449292823444998 (4.06961e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.449292823201984 (9.92179e-09% change) large trace change predicted (4.78746e-08%) linmin: converged after 9 iterations. iteration 953: trace = 2.4492928220294 (4.78744e-08% change) linmin: converged after 4 iterations. iteration 954: trace = 2.449292821305115 (2.95712e-08% change) linmin: converged after 27 iterations. iteration 955: trace = 2.449292821019392 (1.16655e-08% change) large trace change predicted (2.45419e-08%) linmin: converged after 18 iterations. iteration 956: trace = 2.449292820418303 (2.45413e-08% change) linmin: converged after 4 iterations. iteration 957: trace = 2.44929281974685 (2.74141e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292819451983 (1.20389e-08% change) linmin: converged after 4 iterations. iteration 959: trace = 2.449292819036336 (1.69701e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.449292818581712 (1.85615e-08% change) linmin: converged after 4 iterations. iteration 961: trace = 2.449292818221283 (1.47156e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.449292817826609 (1.61138e-08% change) large trace change predicted (3.57371e-08%) linmin: converged after 5 iterations. iteration 963: trace = 2.449292816951307 (3.57369e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292816697775 (1.03512e-08% change) large trace change predicted (3.83415e-08%) linmin: converged after 29 iterations. iteration 965: trace = 2.449292815758691 (3.8341e-08% change) linmin: converged after 5 iterations. iteration 966: trace = 2.449292814973514 (3.20573e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292814643907 (1.34572e-08% change) linmin: converged after 6 iterations. iteration 968: trace = 2.449292814396085 (1.01181e-08% change) large trace change predicted (3.11848e-08%) linmin: converged after 6 iterations. iteration 969: trace = 2.449292813632286 (3.11845e-08% change) linmin: converged after 6 iterations. iteration 970: trace = 2.449292813348551 (1.15844e-08% change) linmin: converged after 2 iterations. iteration 971: trace = 2.449292812888706 (1.87746e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.449292812293939 (2.42832e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.449292811686589 (2.47969e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.449292811467092 (8.96164e-09% change) large trace change predicted (2.0036e-08%) linmin: converged after 4 iterations. iteration 975: trace = 2.449292810976347 (2.00362e-08% change) linmin: converged after 25 iterations. iteration 976: trace = 2.449292810758839 (8.88045e-09% change) linmin: converged after 4 iterations. iteration 977: trace = 2.449292810657535 (4.13606e-09% change) large trace change predicted (1.09639e-08%) linmin: converged after 16 iterations. iteration 978: trace = 2.449292810388996 (1.09639e-08% change) linmin: converged after 8 iterations. iteration 979: trace = 2.449292810092927 (1.20879e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 980: trace = 2.44929280982441 (1.0963e-08% change) linmin: converged after 4 iterations. iteration 981: trace = 2.449292809551977 (1.11229e-08% change) linmin: converged after 4 iterations. iteration 982: trace = 2.44929280945052 (4.14232e-09% change) linmin: converged after 4 iterations. iteration 983: trace = 2.44929280924928 (8.21625e-09% change) large trace change predicted (1.71212e-08%) linmin: converged after 3 iterations. iteration 984: trace = 2.44929280882993 (1.71213e-08% change) linmin: converged after 16 iterations. iteration 985: trace = 2.449292808599845 (9.39393e-09% change) large trace change predicted (2.26125e-08%) linmin: converged after 2 iterations. iteration 986: trace = 2.449292808046013 (2.26119e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.44929280753147 (2.10078e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.449292807132035 (1.63082e-08% change) linmin: converged after 8 iterations. iteration 989: trace = 2.449292806855001 (1.13108e-08% change) large trace change predicted (2.37093e-08%) linmin: converged after 2 iterations. iteration 990: trace = 2.44929280627428 (2.37097e-08% change) linmin: converged after 4 iterations. iteration 991: trace = 2.449292806115665 (6.47596e-09% change) large trace change predicted (1.58704e-08%) linmin: converged after 7 iterations. iteration 992: trace = 2.44929280572696 (1.58701e-08% change) linmin: converged after 4 iterations. iteration 993: trace = 2.44929280513814 (2.40404e-08% change) linmin: converged after 7 iterations. iteration 994: trace = 2.449292804476389 (2.7018e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292804241914 (9.57319e-09% change) large trace change predicted (2.86411e-08%) linmin: converged after 4 iterations. iteration 996: trace = 2.449292803540415 (2.86409e-08% change) linmin: converged after 4 iterations. iteration 997: trace = 2.449292803264064 (1.12829e-08% change) linmin: converged after 17 iterations. iteration 998: trace = 2.449292802940464 (1.3212e-08% change) linmin: converged after 18 iterations. iteration 999: trace = 2.449292802608339 (1.356e-08% change) linmin: converged after 7 iterations. iteration 1000: trace = 2.449292802419999 (7.68955e-09% change) linmin: converged after 5 iterations. iteration 1001: trace = 2.449292802153499 (1.08807e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.449292801640157 (2.09588e-08% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.449292801266925 (1.52383e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.449292801083549 (7.48691e-09% change) large trace change predicted (2.00733e-08%) linmin: converged after 4 iterations. iteration 1005: trace = 2.449292800591893 (2.00734e-08% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.449292799871899 (2.9396e-08% change) linmin: converged after 4 iterations. iteration 1007: trace = 2.449292799727924 (5.87823e-09% change) large trace change predicted (2.70738e-08%) linmin: converged after 9 iterations. iteration 1008: trace = 2.449292799064807 (2.70738e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.449292798707897 (1.4572e-08% change) linmin: converged after 7 iterations. iteration 1010: trace = 2.449292798556216 (6.19284e-09% change) large trace change predicted (2.03449e-08%) linmin: converged after 4 iterations. iteration 1011: trace = 2.449292798057914 (2.03447e-08% change) linmin: converged after 5 iterations. iteration 1012: trace = 2.449292797534558 (2.13676e-08% change) linmin: converged after 5 iterations. iteration 1013: trace = 2.44929279731747 (8.86332e-09% change) large trace change predicted (2.10128e-08%) linmin: converged after 6 iterations. iteration 1014: trace = 2.449292796802809 (2.10126e-08% change) linmin: converged after 10 iterations. iteration 1015: trace = 2.449292796267386 (2.18603e-08% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.449292796107541 (6.52617e-09% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.449292795856178 (1.02627e-08% change) linmin: converged after 5 iterations. iteration 1018: trace = 2.449292795535759 (1.30821e-08% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.449292795449339 (3.52837e-09% change) large trace change predicted (7.87888e-09%) linmin: converged after 4 iterations. iteration 1020: trace = 2.449292795256353 (7.87922e-09% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.449292794882494 (1.5264e-08% change) linmin: converged after 15 iterations. iteration 1022: trace = 2.449292794335839 (2.23189e-08% change) linmin: converged after 18 iterations. iteration 1023: trace = 2.449292794209363 (5.16378e-09% change) large trace change predicted (2.75262e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.44929279353518 (2.75256e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.44929279307887 (1.86303e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.449292792900291 (7.29104e-09% change) large trace change predicted (2.94152e-08%) linmin: converged after 6 iterations. iteration 1027: trace = 2.449292792179833 (2.9415e-08% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.449292791800793 (1.54755e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292791402109 (1.62775e-08% change) linmin: converged after 6 iterations. iteration 1030: trace = 2.449292790840369 (2.29348e-08% change) linmin: converged after 5 iterations. iteration 1031: trace = 2.449292790282437 (2.27793e-08% change) linmin: converged after 13 iterations. iteration 1032: trace = 2.449292789855122 (1.74464e-08% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.449292789099253 (3.08607e-08% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292788729323 (1.51036e-08% change) linmin: converged after 6 iterations. iteration 1035: trace = 2.449292788510819 (8.92112e-09% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.449292788144477 (1.4957e-08% change) linmin: converged after 6 iterations. iteration 1037: trace = 2.449292787776763 (1.50131e-08% change) linmin: converged after 5 iterations. iteration 1038: trace = 2.449292787647168 (5.29114e-09% change) large trace change predicted (1.51366e-08%) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292787276423 (1.51368e-08% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.449292787001332 (1.12315e-08% change) linmin: converged after 6 iterations. iteration 1041: trace = 2.44929278685885 (5.81725e-09% change) large trace change predicted (1.2216e-08%) linmin: converged after 6 iterations. iteration 1042: trace = 2.449292786559644 (1.2216e-08% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292786082576 (1.94778e-08% change) linmin: converged after 9 iterations. iteration 1044: trace = 2.449292785923108 (6.51076e-09% change) large trace change predicted (2.57971e-08%) linmin: converged after 3 iterations. iteration 1045: trace = 2.449292785291267 (2.57969e-08% change) linmin: converged after 8 iterations. iteration 1046: trace = 2.449292784689414 (2.45725e-08% change) linmin: converged after 5 iterations. iteration 1047: trace = 2.449292784171934 (2.11277e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292783885085 (1.17115e-08% change) large trace change predicted (1.8008e-07%) linmin: converged after 11 iterations. iteration 1049: trace = 2.449292779474326 (1.80083e-07% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1050: trace = 2.449292778270842 (4.9136e-08% change) linmin: converged after 3 iterations. iteration 1051: trace = 2.449292775985137 (9.3321e-08% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.449292775740026 (1.00074e-08% change) linmin: converged after 20 iterations. iteration 1053: trace = 2.449292775582286 (6.44025e-09% change) large trace change predicted (2.07825e-08%) linmin: converged after 6 iterations. iteration 1054: trace = 2.449292775073249 (2.0783e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292774709956 (1.48326e-08% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.449292774553516 (6.38714e-09% change) linmin: converged after 12 iterations. iteration 1057: trace = 2.449292774281727 (1.10967e-08% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.449292774076866 (8.36409e-09% change) linmin: converged after 3 iterations. iteration 1059: trace = 2.449292774000431 (3.12067e-09% change) linmin: converged after 6 iterations. iteration 1060: trace = 2.44929277386966 (5.33913e-09% change) linmin: converged after 2 iterations. iteration 1061: trace = 2.449292773656737 (8.69326e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.449292773591039 (2.68229e-09% change) large trace change predicted (9.28635e-09%) linmin: converged after 4 iterations. iteration 1063: trace = 2.449292773363597 (9.28603e-09% change) linmin: converged after 3 iterations. iteration 1064: trace = 2.449292773195998 (6.84276e-09% change) linmin: converged after 4 iterations. iteration 1065: trace = 2.449292773081868 (4.65971e-09% change) linmin: converged after 3 iterations. iteration 1066: trace = 2.449292772920129 (6.60348e-09% change) large trace change predicted (1.40997e-08%) linmin: converged after 6 iterations. iteration 1067: trace = 2.449292772574782 (1.40999e-08% change) linmin: converged after 6 iterations. iteration 1068: trace = 2.449292772474202 (4.10649e-09% change) large trace change predicted (1.13662e-08%) linmin: converged after 4 iterations. iteration 1069: trace = 2.449292772195803 (1.13665e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292771887818 (1.25744e-08% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.449292771808202 (3.25058e-09% change) large trace change predicted (1.21477e-08%) linmin: converged after 4 iterations. iteration 1072: trace = 2.449292771510663 (1.2148e-08% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.449292771294166 (8.83917e-09% change) linmin: converged after 25 iterations. iteration 1074: trace = 2.449292771203232 (3.71268e-09% change) large trace change predicted (8.48754e-09%) linmin: converged after 4 iterations. iteration 1075: trace = 2.449292770995342 (8.48776e-09% change) linmin: converged after 7 iterations. iteration 1076: trace = 2.449292770720612 (1.12167e-08% change) linmin: converged after 2 iterations. iteration 1077: trace = 2.449292770670279 (2.05504e-09% change) large trace change predicted (7.9413e-09%) linmin: converged after 4 iterations. iteration 1078: trace = 2.449292770475781 (7.94098e-09% change) linmin: converged after 23 iterations. iteration 1079: trace = 2.449292770339211 (5.57587e-09% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.449292770297937 (1.68514e-09% change) large trace change predicted (3.77249e-09%) linmin: converged after 4 iterations. iteration 1081: trace = 2.449292770205524 (3.77306e-09% change) linmin: converged after 10 iterations. iteration 1082: trace = 2.449292770118303 (3.56106e-09% change) linmin: converged after 6 iterations. iteration 1083: trace = 2.449292769987425 (5.3435e-09% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.449292769909962 (3.16268e-09% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.449292769830842 (3.23033e-09% change) large trace change predicted (9.2026e-09%) linmin: converged after 4 iterations. iteration 1086: trace = 2.449292769605439 (9.20275e-09% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.449292769554233 (2.09067e-09% change) large trace change predicted (7.72417e-09%) linmin: converged after 4 iterations. iteration 1088: trace = 2.449292769365034 (7.72463e-09% change) linmin: converged after 20 iterations. iteration 1089: trace = 2.449292769202676 (6.62874e-09% change) linmin: converged after 2 iterations. iteration 1090: trace = 2.449292769149459 (2.17275e-09% change) large trace change predicted (4.5672e-09%) linmin: converged after 4 iterations. iteration 1091: trace = 2.449292769037607 (4.56674e-09% change) linmin: converged after 9 iterations. iteration 1092: trace = 2.449292768834435 (8.29512e-09% change) linmin: converged after 14 iterations. iteration 1093: trace = 2.449292768783861 (2.06483e-09% change) large trace change predicted (6.90602e-09%) linmin: converged after 4 iterations. iteration 1094: trace = 2.449292768614709 (6.90619e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292768477618 (5.59716e-09% change) linmin: converged after 5 iterations. iteration 1096: trace = 2.449292768434173 (1.77377e-09% change) large trace change predicted (5.74193e-09%) linmin: converged after 20 iterations. iteration 1097: trace = 2.449292768293547 (5.74148e-09% change) linmin: converged after 12 iterations. iteration 1098: trace = 2.449292768160156 (5.44612e-09% change) linmin: converged after 8 iterations. iteration 1099: trace = 2.449292768106457 (2.19242e-09% change) linmin: converged after 4 iterations. iteration 1100: trace = 2.449292768032605 (3.01522e-09% change) linmin: converged after 11 iterations. iteration 1101: trace = 2.449292767955121 (3.16354e-09% change) linmin: converged after 5 iterations. iteration 1102: trace = 2.449292767897963 (2.33366e-09% change) linmin: converged after 14 iterations. iteration 1103: trace = 2.449292767830797 (2.74227e-09% change) large trace change predicted (6.11213e-09%) linmin: converged after 25 iterations. iteration 1104: trace = 2.44929276768109 (6.11223e-09% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.449292767643754 (1.52437e-09% change) large trace change predicted (8.02699e-09%) linmin: converged after 4 iterations. iteration 1106: trace = 2.449292767447155 (8.02677e-09% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.449292767337939 (4.45905e-09% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.449292767293088 (1.83121e-09% change) linmin: converged after 11 iterations. iteration 1109: trace = 2.449292767204793 (3.60491e-09% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.449292767082932 (4.97536e-09% change) linmin: converged after 4 iterations. iteration 1111: trace = 2.449292767057527 (1.03724e-09% change) large trace change predicted (4.82724e-09%) linmin: converged after 23 iterations. iteration 1112: trace = 2.449292766939295 (4.82716e-09% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.449292766834387 (4.2832e-09% change) linmin: converged after 14 iterations. iteration 1114: trace = 2.449292766702921 (5.36751e-09% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292766676014 (1.0986e-09% change) large trace change predicted (3.64455e-09%) linmin: converged after 5 iterations. iteration 1116: trace = 2.449292766586756 (3.64423e-09% change) linmin: converged after 21 iterations. iteration 1117: trace = 2.449292766541157 (1.86169e-09% change) linmin: converged after 5 iterations. iteration 1118: trace = 2.449292766527992 (5.37539e-10% change) large trace change predicted (1.45316e-09%) linmin: converged after 7 iterations. iteration 1119: trace = 2.449292766492394 (1.45337e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.449292766461714 (1.25262e-09% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.44929276644947 (4.99881e-10% change) large trace change predicted (1.90076e-09%) linmin: converged after 3 iterations. iteration 1122: trace = 2.449292766402913 (1.90083e-09% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.449292766341347 (2.51365e-09% change) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292766309296 (1.30857e-09% change) large trace change predicted (5.03161e-09%) linmin: converged after 6 iterations. iteration 1125: trace = 2.449292766186064 (5.03132e-09% change) linmin: converged after 6 iterations. iteration 1126: trace = 2.449292766134422 (2.10844e-09% change) linmin: converged after 5 iterations. iteration 1127: trace = 2.44929276606534 (2.82051e-09% change) linmin: converged after 20 iterations. iteration 1128: trace = 2.449292765972363 (3.79606e-09% change) linmin: converged after 19 iterations. iteration 1129: trace = 2.449292765881203 (3.72189e-09% change) linmin: converged after 13 iterations. iteration 1130: trace = 2.449292765857333 (9.74559e-10% change) large trace change predicted (4.17193e-09%) linmin: converged after 4 iterations. iteration 1131: trace = 2.449292765755159 (4.17158e-09% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.449292765671228 (3.42673e-09% change) linmin: converged after 6 iterations. iteration 1133: trace = 2.449292765626407 (1.82998e-09% change) large trace change predicted (5.71369e-09%) linmin: converged after 4 iterations. iteration 1134: trace = 2.449292765486467 (5.71349e-09% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.449292765356216 (5.31788e-09% change) linmin: converged after 3 iterations. iteration 1136: trace = 2.449292765333349 (9.33618e-10% change) large trace change predicted (2.49286e-09%) linmin: converged after 4 iterations. iteration 1137: trace = 2.449292765272295 (2.49273e-09% change) linmin: converged after 5 iterations. iteration 1138: trace = 2.449292765203765 (2.79794e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.449292765185566 (7.4304e-10% change) large trace change predicted (3.23257e-09%) linmin: converged after 5 iterations. iteration 1140: trace = 2.449292765106376 (3.23318e-09% change) linmin: converged after 9 iterations. iteration 1141: trace = 2.449292765030374 (3.10305e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.449292765001697 (1.17079e-09% change) large trace change predicted (3.57299e-09%) linmin: converged after 14 iterations. iteration 1143: trace = 2.449292764914191 (3.5727e-09% change) linmin: converged after 5 iterations. iteration 1144: trace = 2.449292764820372 (3.83048e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.449292764786823 (1.36971e-09% change) large trace change predicted (5.04286e-09%) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292764663304 (5.04306e-09% change) linmin: converged after 22 iterations. iteration 1147: trace = 2.44929276457816 (3.47626e-09% change) linmin: converged after 21 iterations. iteration 1148: trace = 2.449292764536562 (1.69838e-09% change) large trace change predicted (3.54446e-09%) linmin: converged after 6 iterations. iteration 1149: trace = 2.449292764449745 (3.54457e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292764332902 (4.77048e-09% change) linmin: converged after 14 iterations. iteration 1151: trace = 2.449292764304071 (1.17714e-09% change) large trace change predicted (4.12632e-09%) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292764203018 (4.1258e-09% change) linmin: converged after 13 iterations. iteration 1153: trace = 2.449292764120679 (3.36171e-09% change) linmin: converged after 3 iterations. iteration 1154: trace = 2.449292764038884 (3.33955e-09% change) linmin: converged after 4 iterations. iteration 1155: trace = 2.449292763992528 (1.89264e-09% change) linmin: converged after 18 iterations. iteration 1156: trace = 2.449292763918782 (3.01089e-09% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.449292763871882 (1.91485e-09% change) linmin: converged after 12 iterations. iteration 1158: trace = 2.449292763845838 (1.06331e-09% change) linmin: converged after 4 iterations. iteration 1159: trace = 2.449292763808858 (1.50985e-09% change) large trace change predicted (3.59342e-09%) linmin: converged after 21 iterations. iteration 1160: trace = 2.449292763720838 (3.59366e-09% change) linmin: converged after 5 iterations. iteration 1161: trace = 2.449292763693279 (1.12519e-09% change) large trace change predicted (3.40382e-09%) linmin: converged after 6 iterations. iteration 1162: trace = 2.449292763609912 (3.40374e-09% change) linmin: converged after 2 iterations. iteration 1163: trace = 2.449292763519646 (3.68537e-09% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.449292763411224 (4.42667e-09% change) linmin: converged after 5 iterations. iteration 1165: trace = 2.449292763364614 (1.90301e-09% change) large trace change predicted (5.02715e-09%) linmin: converged after 7 iterations. iteration 1166: trace = 2.44929276324148 (5.02733e-09% change) linmin: converged after 3 iterations. iteration 1167: trace = 2.449292763126816 (4.68151e-09% change) linmin: converged after 11 iterations. iteration 1168: trace = 2.449292763064491 (2.5446e-09% change) linmin: converged after 7 iterations. iteration 1169: trace = 2.449292762956941 (4.39108e-09% change) linmin: converged after 15 iterations. iteration 1170: trace = 2.449292762885822 (2.90362e-09% change) linmin: converged after 12 iterations. iteration 1171: trace = 2.449292762791862 (3.83621e-09% change) linmin: converged after 5 iterations. iteration 1172: trace = 2.449292762655463 (5.56895e-09% change) linmin: converged after 24 iterations. iteration 1173: trace = 2.449292762589853 (2.67872e-09% change) linmin: converged after 22 iterations. iteration 1174: trace = 2.449292762556233 (1.37263e-09% change) large trace change predicted (2.97198e-09%) linmin: converged after 4 iterations. iteration 1175: trace = 2.449292762483432 (2.97232e-09% change) linmin: converged after 3 iterations. iteration 1176: trace = 2.449292762393783 (3.66019e-09% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292762377108 (6.80813e-10% change) large trace change predicted (2.64686e-09%) linmin: converged after 10 iterations. iteration 1178: trace = 2.44929276231228 (2.64683e-09% change) linmin: converged after 18 iterations. iteration 1179: trace = 2.449292762268954 (1.76891e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292762241397 (1.1251e-09% change) large trace change predicted (2.78281e-09%) linmin: converged after 3 iterations. iteration 1181: trace = 2.449292762173243 (2.7826e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.449292762082632 (3.69948e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292762039903 (1.74452e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.449292761962377 (3.16528e-09% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.449292761846202 (4.74319e-09% change) linmin: converged after 8 iterations. iteration 1186: trace = 2.449292761805949 (1.64344e-09% change) large trace change predicted (4.61015e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.44929276169304 (4.60987e-09% change) linmin: converged after 4 iterations. iteration 1188: trace = 2.449292761474861 (8.90783e-09% change) linmin: converged after 9 iterations. iteration 1189: trace = 2.449292761296685 (7.27461e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.449292761143172 (6.26764e-09% change) linmin: converged after 20 iterations. iteration 1191: trace = 2.449292760973629 (6.9221e-09% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.44929276088321 (3.69165e-09% change) linmin: converged after 6 iterations. iteration 1193: trace = 2.449292760846161 (1.51262e-09% change) large trace change predicted (3.464e-09%) linmin: converged after 26 iterations. iteration 1194: trace = 2.449292760761314 (3.46415e-09% change) linmin: converged after 22 iterations. iteration 1195: trace = 2.449292760680307 (3.30735e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292760658868 (8.75344e-10% change) large trace change predicted (2.6768e-09%) linmin: converged after 6 iterations. iteration 1197: trace = 2.449292760593309 (2.67665e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.449292760541796 (2.10316e-09% change) linmin: converged after 12 iterations. iteration 1199: trace = 2.44929276052817 (5.56305e-10% change) large trace change predicted (1.70544e-09%) linmin: converged after 17 iterations. iteration 1200: trace = 2.449292760486406 (1.70518e-09% change) linmin: converged after 5 iterations. iteration 1201: trace = 2.449292760452703 (1.37602e-09% change) linmin: converged after 11 iterations. iteration 1202: trace = 2.449292760439261 (5.48799e-10% change) large trace change predicted (1.52202e-09%) linmin: converged after 4 iterations. iteration 1203: trace = 2.449292760401988 (1.5218e-09% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.44929276035956 (1.73223e-09% change) linmin: converged after 16 iterations. iteration 1205: trace = 2.449292760347157 (5.0639e-10% change) large trace change predicted (2.63441e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.449292760282626 (2.63472e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292760223299 (2.4222e-09% change) linmin: converged after 12 iterations. iteration 1208: trace = 2.44929276019715 (1.06761e-09% change) linmin: converged after 19 iterations. iteration 1209: trace = 2.449292760146311 (2.07567e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292760059392 (3.54874e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.449292760043796 (6.36754e-10% change) large trace change predicted (2.03258e-09%) linmin: converged after 7 iterations. iteration 1212: trace = 2.449292759994015 (2.03247e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.449292759931645 (2.54642e-09% change) linmin: converged after 3 iterations. iteration 1214: trace = 2.449292759918294 (5.45118e-10% change) large trace change predicted (2.97981e-09%) linmin: converged after 2 iterations. iteration 1215: trace = 2.449292759845308 (2.97986e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.449292759792404 (2.15997e-09% change) linmin: converged after 3 iterations. iteration 1217: trace = 2.449292759774613 (7.26377e-10% change) linmin: converged after 19 iterations. iteration 1218: trace = 2.449292759747608 (1.10258e-09% change) linmin: converged after 2 iterations. iteration 1219: trace = 2.449292759712576 (1.43029e-09% change) linmin: converged after 8 iterations. iteration 1220: trace = 2.449292759700554 (4.90815e-10% change) linmin: converged after 3 iterations. iteration 1221: trace = 2.449292759680509 (8.1843e-10% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.449292759659007 (8.77882e-10% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.449292759636751 (9.08669e-10% change) linmin: converged after 9 iterations. iteration 1224: trace = 2.449292759620841 (6.49555e-10% change) linmin: converged after 7 iterations. iteration 1225: trace = 2.449292759594803 (1.06309e-09% change) linmin: converged after 7 iterations. iteration 1226: trace = 2.449292759547567 (1.92854e-09% change) linmin: converged after 12 iterations. iteration 1227: trace = 2.449292759518931 (1.16918e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.449292759506657 (5.01114e-10% change) large trace change predicted (1.46602e-09%) linmin: converged after 15 iterations. iteration 1229: trace = 2.449292759470753 (1.4659e-09% change) linmin: converged after 2 iterations. iteration 1230: trace = 2.44929275943566 (1.43276e-09% change) linmin: converged after 5 iterations. iteration 1231: trace = 2.449292759422113 (5.53132e-10% change) large trace change predicted (1.75063e-09%) linmin: converged after 19 iterations. iteration 1232: trace = 2.449292759379243 (1.75029e-09% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.449292759357594 (8.83866e-10% change) linmin: converged after 13 iterations. iteration 1234: trace = 2.449292759338761 (7.68949e-10% change) large trace change predicted (1.61293e-09%) linmin: converged after 10 iterations. iteration 1235: trace = 2.449292759299257 (1.61285e-09% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.449292759273559 (1.04919e-09% change) linmin: converged after 6 iterations. iteration 1237: trace = 2.44929275925691 (6.7978e-10% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.449292759233173 (9.69119e-10% change) linmin: converged after 15 iterations. iteration 1239: trace = 2.449292759214736 (7.5274e-10% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.449292759201602 (5.36234e-10% change) linmin: converged after 4 iterations. iteration 1241: trace = 2.449292759179976 (8.82941e-10% change) linmin: converged after 6 iterations. iteration 1242: trace = 2.449292759165488 (5.91534e-10% change) linmin: converged after 12 iterations. iteration 1243: trace = 2.449292759151752 (5.6082e-10% change) linmin: converged after 6 iterations. iteration 1244: trace = 2.449292759127012 (1.01008e-09% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.449292759099869 (1.10819e-09% change) linmin: converged after 10 iterations. iteration 1246: trace = 2.449292759089192 (4.3595e-10% change) large trace change predicted (1.55891e-09%) linmin: converged after 4 iterations. iteration 1247: trace = 2.449292759051009 (1.55895e-09% change) linmin: converged after 3 iterations. iteration 1248: trace = 2.44929275902163 (1.19948e-09% change) linmin: converged after 17 iterations. iteration 1249: trace = 2.449292759013692 (3.24097e-10% change) large trace change predicted (7.6497e-10%) linmin: converged after 15 iterations. iteration 1250: trace = 2.449292758994964 (7.64598e-10% change) linmin: converged after 4 iterations. iteration 1251: trace = 2.449292758969258 (1.04953e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292758962486 (2.76503e-10% change) large trace change predicted (1.19169e-09%) linmin: converged after 16 iterations. iteration 1253: trace = 2.449292758933303 (1.1915e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292758918078 (6.21578e-10% change) linmin: converged after 3 iterations. iteration 1255: trace = 2.449292758909865 (3.35321e-10% change) large trace change predicted (1.04435e-09%) linmin: converged after 3 iterations. iteration 1256: trace = 2.449292758884287 (1.04433e-09% change) linmin: converged after 5 iterations. iteration 1257: trace = 2.449292758868597 (6.4058e-10% change) linmin: converged after 20 iterations. iteration 1258: trace = 2.449292758864993 (1.47154e-10% change) large trace change predicted (3.06988e-10%) linmin: converged after 3 iterations. iteration 1259: trace = 2.449292758857477 (3.06855e-10% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1260: trace = 2.449292758851558 (2.41654e-10% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.449292758848084 (1.41841e-10% change) large trace change predicted (4.50232e-10%) linmin: converged after 5 iterations. iteration 1262: trace = 2.449292758837065 (4.49874e-10% change) linmin: converged after 15 iterations. iteration 1263: trace = 2.449292758819417 (7.20539e-10% change) linmin: converged after 6 iterations. iteration 1264: trace = 2.449292758811008 (3.43317e-10% change) large trace change predicted (8.87474e-10%) linmin: converged after 18 iterations. iteration 1265: trace = 2.449292758789266 (8.87691e-10% change) linmin: converged after 6 iterations. iteration 1266: trace = 2.449292758771401 (7.29405e-10% change) linmin: converged after 16 iterations. iteration 1267: trace = 2.449292758760127 (4.603e-10% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.449292758741193 (7.73029e-10% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.449292758720273 (8.54149e-10% change) linmin: converged after 4 iterations. iteration 1270: trace = 2.44929275871347 (2.77736e-10% change) large trace change predicted (6.15605e-10%) linmin: converged after 7 iterations. iteration 1271: trace = 2.449292758698395 (6.15468e-10% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.449292758672871 (1.0421e-09% change) linmin: converged after 14 iterations. iteration 1273: trace = 2.44929275866722 (2.30757e-10% change) large trace change predicted (1.60134e-09%) linmin: converged after 4 iterations. iteration 1274: trace = 2.449292758628006 (1.60103e-09% change) linmin: converged after 16 iterations. iteration 1275: trace = 2.449292758610783 (7.03169e-10% change) linmin: converged after 10 iterations. iteration 1276: trace = 2.449292758602837 (3.24424e-10% change) linmin: converged after 12 iterations. iteration 1277: trace = 2.449292758588897 (5.69124e-10% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.449292758572092 (6.86107e-10% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.449292758567805 (1.75058e-10% change) large trace change predicted (5.86455e-10%) linmin: converged after 6 iterations. iteration 1280: trace = 2.449292758553434 (5.8673e-10% change) linmin: converged after 3 iterations. iteration 1281: trace = 2.449292758535749 (7.22062e-10% change) linmin: converged after 2 iterations. iteration 1282: trace = 2.449292758530183 (2.2724e-10% change) large trace change predicted (8.60478e-10%) linmin: converged after 6 iterations. iteration 1283: trace = 2.449292758509119 (8.59987e-10% change) linmin: converged after 12 iterations. iteration 1284: trace = 2.449292758484633 (9.99743e-10% change) linmin: converged after 6 iterations. iteration 1285: trace = 2.449292758476932 (3.14415e-10% change) large trace change predicted (1.01746e-09%) linmin: converged after 3 iterations. iteration 1286: trace = 2.449292758452019 (1.01715e-09% change) linmin: converged after 15 iterations. iteration 1287: trace = 2.449292758430085 (8.95506e-10% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.449292758416654 (5.48382e-10% change) linmin: converged after 7 iterations. iteration 1289: trace = 2.44929275840459 (4.92537e-10% change) large trace change predicted (1.06833e-09%) linmin: converged after 8 iterations. iteration 1290: trace = 2.44929275837841 (1.0689e-09% change) linmin: converged after 5 iterations. iteration 1291: trace = 2.449292758359372 (7.77254e-10% change) linmin: converged after 5 iterations. iteration 1292: trace = 2.449292758350647 (3.56262e-10% change) linmin: converged after 4 iterations. iteration 1293: trace = 2.449292758333538 (6.98491e-10% change) linmin: converged after 3 iterations. iteration 1294: trace = 2.449292758307621 (1.05814e-09% change) linmin: converged after 5 iterations. iteration 1295: trace = 2.449292758302124 (2.24448e-10% change) large trace change predicted (4.81448e-10%) linmin: converged after 6 iterations. iteration 1296: trace = 2.449292758290333 (4.81387e-10% change) linmin: converged after 6 iterations. iteration 1297: trace = 2.449292758278334 (4.89927e-10% change) linmin: converged after 6 iterations. iteration 1298: trace = 2.449292758266059 (5.01168e-10% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.449292758261931 (1.68513e-10% change) large trace change predicted (8.52803e-10%) linmin: converged after 5 iterations. iteration 1300: trace = 2.449292758241048 (8.52607e-10% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.44929275822648 (5.94816e-10% change) linmin: converged after 14 iterations. iteration 1302: trace = 2.449292758218644 (3.19909e-10% change) large trace change predicted (8.8925e-10%) linmin: converged after 16 iterations. iteration 1303: trace = 2.449292758196867 (8.89124e-10% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.449292758166665 (1.23309e-09% change) linmin: converged after 4 iterations. iteration 1305: trace = 2.449292758156789 (4.03223e-10% change) large trace change predicted (9.18198e-10%) linmin: converged after 6 iterations. iteration 1306: trace = 2.449292758134307 (9.17898e-10% change) linmin: converged after 4 iterations. iteration 1307: trace = 2.449292758106699 (1.12717e-09% change) linmin: converged after 16 iterations. iteration 1308: trace = 2.449292758094954 (4.79537e-10% change) linmin: converged after 9 iterations. iteration 1309: trace = 2.449292758078808 (6.59219e-10% change) large trace change predicted (1.56711e-09%) linmin: converged after 5 iterations. iteration 1310: trace = 2.44929275804042 (1.56727e-09% change) linmin: converged after 3 iterations. iteration 1311: trace = 2.449292758033776 (2.71299e-10% change) large trace change predicted (1.06242e-09%) linmin: converged after 6 iterations. iteration 1312: trace = 2.449292758007754 (1.0624e-09% change) linmin: converged after 14 iterations. iteration 1313: trace = 2.449292757992364 (6.28341e-10% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.449292757987319 (2.0599e-10% change) large trace change predicted (8.55599e-10%) linmin: converged after 8 iterations. iteration 1315: trace = 2.449292757966359 (8.55744e-10% change) linmin: converged after 6 iterations. iteration 1316: trace = 2.449292757950642 (6.41722e-10% change) linmin: converged after 7 iterations. iteration 1317: trace = 2.449292757945503 (2.09816e-10% change) large trace change predicted (4.28919e-10%) linmin: converged after 4 iterations. iteration 1318: trace = 2.449292757934999 (4.28842e-10% change) linmin: converged after 3 iterations. iteration 1319: trace = 2.449292757920721 (5.82958e-10% change) linmin: converged after 9 iterations. iteration 1320: trace = 2.449292757906184 (5.93511e-10% change) linmin: converged after 17 iterations. iteration 1321: trace = 2.449292757899804 (2.60456e-10% change) large trace change predicted (6.78365e-10%) linmin: converged after 5 iterations. iteration 1322: trace = 2.449292757883192 (6.78275e-10% change) linmin: converged after 17 iterations. iteration 1323: trace = 2.449292757859069 (9.84894e-10% change) linmin: converged after 16 iterations. iteration 1324: trace = 2.449292757850781 (3.38367e-10% change) large trace change predicted (1.13248e-09%) linmin: converged after 13 iterations. iteration 1325: trace = 2.44929275782305 (1.13219e-09% change) linmin: converged after 3 iterations. iteration 1326: trace = 2.44929275780172 (8.70884e-10% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.449292757791836 (4.03549e-10% change) large trace change predicted (2.01385e-09%) linmin: converged after 7 iterations. iteration 1328: trace = 2.449292757742509 (2.01394e-09% change) large trace change predicted (5.09216e-09%) linmin: converged after 4 iterations. iteration 1329: trace = 2.449292757617787 (5.09216e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.449292757547781 (2.8582e-09% change) linmin: converged after 2 iterations. iteration 1331: trace = 2.449292757484208 (2.59554e-09% change) linmin: converged after 4 iterations. iteration 1332: trace = 2.449292757470625 (5.54601e-10% change) linmin: converged after 10 iterations. iteration 1333: trace = 2.449292757462135 (3.46617e-10% change) linmin: converged after 5 iterations. iteration 1334: trace = 2.449292757446504 (6.38168e-10% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.449292757438078 (3.44024e-10% change) linmin: converged after 5 iterations. iteration 1336: trace = 2.449292757426121 (4.88186e-10% change) linmin: converged after 20 iterations. iteration 1337: trace = 2.449292757411037 (6.15849e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.449292757405261 (2.35816e-10% change) linmin: converged after 13 iterations. iteration 1339: trace = 2.449292757398204 (2.88161e-10% change) linmin: converged after 5 iterations. iteration 1340: trace = 2.449292757391454 (2.7556e-10% change) linmin: converged after 3 iterations. iteration 1341: trace = 2.449292757386699 (1.9415e-10% change) linmin: converged after 3 iterations. iteration 1342: trace = 2.449292757382848 (1.57217e-10% change) large trace change predicted (3.61649e-10%) linmin: converged after 3 iterations. iteration 1343: trace = 2.44929275737398 (3.62064e-10% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.449292757367516 (2.63938e-10% change) linmin: converged after 15 iterations. iteration 1345: trace = 2.449292757364304 (1.31144e-10% change) large trace change predicted (3.97132e-10%) linmin: converged after 6 iterations. iteration 1346: trace = 2.449292757354573 (3.97275e-10% change) linmin: converged after 3 iterations. iteration 1347: trace = 2.449292757340467 (5.75905e-10% change) linmin: converged after 8 iterations. iteration 1348: trace = 2.449292757337048 (1.39593e-10% change) large trace change predicted (3.79428e-10%) linmin: converged after 9 iterations. iteration 1349: trace = 2.449292757327746 (3.79815e-10% change) linmin: converged after 9 iterations. iteration 1350: trace = 2.449292757313217 (5.93184e-10% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.449292757310218 (1.22423e-10% change) large trace change predicted (4.79807e-10%) linmin: converged after 3 iterations. iteration 1352: trace = 2.449292757298473 (4.79555e-10% change) linmin: converged after 6 iterations. iteration 1353: trace = 2.449292757288164 (4.20901e-10% change) linmin: converged after 8 iterations. iteration 1354: trace = 2.449292757284534 (1.48205e-10% change) large trace change predicted (3.83404e-10%) linmin: converged after 6 iterations. iteration 1355: trace = 2.449292757275136 (3.83695e-10% change) linmin: converged after 7 iterations. iteration 1356: trace = 2.449292757264113 (4.50056e-10% change) linmin: converged after 4 iterations. iteration 1357: trace = 2.449292757261488 (1.07156e-10% change) large trace change predicted (3.29677e-10%) linmin: converged after 12 iterations. iteration 1358: trace = 2.449292757253417 (3.29519e-10% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.449292757246678 (2.75125e-10% change) linmin: converged after 16 iterations. iteration 1360: trace = 2.449292757244071 (1.06467e-10% change) linmin: converged after 3 iterations. iteration 1361: trace = 2.449292757241124 (1.20319e-10% change) linmin: converged after 4 iterations. iteration 1362: trace = 2.449292757236235 (1.9959e-10% change) linmin: converged after 3 iterations. iteration 1363: trace = 2.449292757231975 (1.73934e-10% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.44929275722949 (1.01481e-10% change) large trace change predicted (2.33375e-10%) linmin: converged after 6 iterations. iteration 1365: trace = 2.449292757223768 (2.33586e-10% change) linmin: converged after 3 iterations. iteration 1366: trace = 2.449292757216063 (3.14615e-10% change) linmin: converged after 3 iterations. iteration 1367: trace = 2.449292757208815 (2.95903e-10% change) linmin: converged after 3 iterations. iteration 1368: trace = 2.449292757206208 (1.06431e-10% change) large trace change predicted (2.29118e-10%) linmin: converged after 10 iterations. iteration 1369: trace = 2.449292757200607 (2.2869e-10% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.44929275719415 (2.63629e-10% change) linmin: converged after 6 iterations. iteration 1371: trace = 2.449292757192449 (6.94611e-11% change) Finished solving for bands 1 to 10 after 1371 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: 15.30261778831482 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861511927415 (3.43117% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854465745308 (0.31877% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499311079860784 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498173170120153 (0.0455393% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495679080301821 (0.0998864% change) linmin: converged after 3 iterations. iteration 6: trace = 2.495170806029013 (0.0203682% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494661117759446 (0.0204291% change) linmin: converged after 4 iterations. iteration 8: trace = 2.49439024950509 (0.0108585% change) linmin: converged after 3 iterations. iteration 9: trace = 2.49424058210378 (0.00600034% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053378743401 (0.00750571% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494007028492894 (0.00185845% change) large trace change predicted (0.00615589%) linmin: converged after 4 iterations. iteration 12: trace = 2.493854130612364 (0.0061308% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809562909608 (0.00178712% change) large trace change predicted (0.00364832%) linmin: converged after 4 iterations. iteration 14: trace = 2.493719018380365 (0.00363084% change) linmin: converged after 3 iterations. iteration 15: trace = 2.493653778543331 (0.0026162% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597662109789 (0.0022504% change) large trace change predicted (0.00494548%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474557363692 (0.00493695% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424383318629 (0.00201223% change) large trace change predicted (0.00492564%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301965427236 (0.00490975% change) linmin: converged after 4 iterations. iteration 20: trace = 2.493244063899183 (0.00232231% change) large trace change predicted (0.00472121%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126718813534 (0.00470663% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032327894579 (0.00378612% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931412656472 (0.00404797% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785343338594 (0.00585951% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694714079764 (0.00363573% change) linmin: converged after 3 iterations. iteration 26: trace = 2.492556695686756 (0.00553707% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504630377014 (0.00208885% change) large trace change predicted (0.00584614%) linmin: converged after 4 iterations. iteration 28: trace = 2.492359180500631 (0.00583566% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292434547219 (0.00267806% change) linmin: converged after 3 iterations. iteration 30: trace = 2.492204363421649 (0.0035338% change) linmin: converged after 4 iterations. iteration 31: trace = 2.49212216309493 (0.00329835% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088585367084 (0.00134736% change) large trace change predicted (0.00374946%) linmin: converged after 4 iterations. iteration 33: trace = 2.491995244233091 (0.00374557% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973153810031 (0.000886459% change) large trace change predicted (0.00384133%) linmin: converged after 4 iterations. iteration 35: trace = 2.49187752746476 (0.00383745% change) linmin: converged after 4 iterations. iteration 36: trace = 2.491799805268383 (0.00311907% change) linmin: converged after 5 iterations. iteration 37: trace = 2.491716753545727 (0.00333306% change) large trace change predicted (0.00753777%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529252776076 (0.00752525% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464542953314 (0.00259723% change) large trace change predicted (0.007851%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269354672295 (0.00783459% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195610250704 (0.00296016% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085374180799 (0.00442512% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014866847593 (0.00283043% change) linmin: converged after 4 iterations. iteration 44: trace = 2.49096952407098 (0.00182027% change) large trace change predicted (0.00538769%) linmin: converged after 3 iterations. iteration 45: trace = 2.49083501239667 (0.00540012% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789596650383 (0.00182333% change) large trace change predicted (0.0100846%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536574614111 (0.0101588% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423804024133 (0.00452807% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250186938204 (0.00697163% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020868437004 (0.00920908% change) linmin: converged after 3 iterations. iteration 51: trace = 2.48994915545932 (0.00288006% change) large trace change predicted (0.00946179%) linmin: converged after 3 iterations. iteration 52: trace = 2.4897112768323 (0.00955401% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658590392886 (0.00211619% change) large trace change predicted (0.004343%) linmin: converged after 3 iterations. iteration 54: trace = 2.489550010304194 (0.00436134% change) linmin: converged after 3 iterations. iteration 55: trace = 2.489470704323802 (0.00318561% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407194018756 (0.00255119% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315196234533 (0.00369564% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272726519491 (0.00170609% change) large trace change predicted (0.00358372%) linmin: converged after 3 iterations. iteration 59: trace = 2.48918337359996 (0.00358958% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147492671182 (0.00144148% change) large trace change predicted (0.0033716%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063492362876 (0.00337472% change) linmin: converged after 4 iterations. iteration 62: trace = 2.489014263043921 (0.00197784% change) linmin: converged after 3 iterations. iteration 63: trace = 2.488950837851401 (0.00254824% change) linmin: converged after 3 iterations. iteration 64: trace = 2.488865369655644 (0.00343396% change) linmin: converged after 4 iterations. iteration 65: trace = 2.488829054847883 (0.0014591% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488764006444785 (0.00261365% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735893647701 (0.0011296% change) large trace change predicted (0.00312775%) linmin: converged after 3 iterations. iteration 68: trace = 2.488658102400994 (0.00312578% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603356122127 (0.00219986% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.488574505260607 (0.00115933% change) large trace change predicted (0.00249155%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512532813117 (0.00249031% change) linmin: converged after 5 iterations. iteration 72: trace = 2.488484817777876 (0.00111373% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451514257414 (0.00133831% change) large trace change predicted (0.00319163%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372323785147 (0.00318237% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356746327817 (0.000626012% change) large trace change predicted (0.00190107%) linmin: converged after 4 iterations. iteration 76: trace = 2.488309494107804 (0.00189895% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271471886156 (0.00152805% change) linmin: converged after 6 iterations. iteration 78: trace = 2.488258011162763 (0.000540968% change) large trace change predicted (0.00171534%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215410973876 (0.00171206% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166244568519 (0.00197599% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145095643942 (0.000849984% change) linmin: converged after 16 iterations. iteration 82: trace = 2.488106137575739 (0.00156576% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066376482181 (0.00159806% change) linmin: converged after 3 iterations. iteration 84: trace = 2.48804869903376 (0.000710492% change) large trace change predicted (0.00194499%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000455351567 (0.00193904% change) linmin: converged after 5 iterations. iteration 86: trace = 2.48793804710525 (0.0025084% change) linmin: converged after 5 iterations. iteration 87: trace = 2.487919746556922 (0.000735574% change) large trace change predicted (0.00295958%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846157212236 (0.00295791% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797966245666 (0.00193707% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776368646125 (0.000868145% change) large trace change predicted (0.00215062%) linmin: converged after 4 iterations. iteration 91: trace = 2.487722881865015 (0.00215001% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710856502693 (0.00048339% change) large trace change predicted (0.0012446%) linmin: converged after 10 iterations. iteration 93: trace = 2.487679904378791 (0.00124421% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653064922518 (0.0010789% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630562154371 (0.000904582% change) linmin: converged after 3 iterations. iteration 96: trace = 2.4875992167067 (0.00126006% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540233767362 (0.00237111% change) linmin: converged after 4 iterations. iteration 98: trace = 2.487521726459346 (0.000744003% change) linmin: converged after 3 iterations. iteration 99: trace = 2.487493708817251 (0.00112633% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462290143284 (0.00126307% change) linmin: converged after 3 iterations. iteration 101: trace = 2.487455403976634 (0.000276835% change) large trace change predicted (0.000933916%) linmin: converged after 4 iterations. iteration 102: trace = 2.487432210792158 (0.00093241% change) linmin: converged after 4 iterations. iteration 103: trace = 2.487405099845247 (0.00108992% change) linmin: converged after 5 iterations. iteration 104: trace = 2.487396841907269 (0.000331991% change) large trace change predicted (0.00148396%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359838295556 (0.00148766% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331110630711 (0.00115495% change) linmin: converged after 3 iterations. iteration 107: trace = 2.48731950199659 (0.000466712% change) large trace change predicted (0.00232005%) linmin: converged after 6 iterations. iteration 108: trace = 2.48726168805199 (0.00232437% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237096911362 (0.000988688% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206702926298 (0.00122201% change) linmin: converged after 5 iterations. iteration 111: trace = 2.487173012464058 (0.00135456% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160543691964 (0.000501324% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141952914576 (0.000747473% change) linmin: converged after 4 iterations. iteration 114: trace = 2.487111563522135 (0.00122187% change) linmin: converged after 5 iterations. iteration 115: trace = 2.487101754632821 (0.00039439% change) large trace change predicted (0.000797915%) linmin: converged after 4 iterations. iteration 116: trace = 2.487081914369318 (0.000797729% change) linmin: converged after 3 iterations. iteration 117: trace = 2.487063698095213 (0.000732438% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055470228728 (0.000330827% change) large trace change predicted (0.00105357%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029260140118 (0.00105387% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487008226569018 (0.000845734% change) linmin: converged after 3 iterations. iteration 121: trace = 2.487000217434275 (0.000322039% change) large trace change predicted (0.000984515%) linmin: converged after 5 iterations. iteration 122: trace = 2.486975733052916 (0.000984499% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486953072373179 (0.000911178% change) linmin: converged after 4 iterations. iteration 124: trace = 2.486940069934616 (0.000522827% change) large trace change predicted (0.00230905%) linmin: converged after 3 iterations. iteration 125: trace = 2.486882697536289 (0.00230697% change) linmin: converged after 4 iterations. iteration 126: trace = 2.486843905417691 (0.00155988% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783841145811 (0.00241531% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698749013012 (0.00342183% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661472398733 (0.00149905% change) linmin: converged after 3 iterations. iteration 130: trace = 2.486623156143583 (0.00154088% change) linmin: converged after 5 iterations. iteration 131: trace = 2.486591381579049 (0.00127783% change) linmin: converged after 4 iterations. iteration 132: trace = 2.48658171060429 (0.000388926% change) large trace change predicted (0.000974717%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557464354544 (0.000975088% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535917597559 (0.000866533% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525850768365 (0.000404854% change) large trace change predicted (0.00133247%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492694510205 (0.00133345% change) linmin: converged after 3 iterations. iteration 137: trace = 2.486468834259398 (0.000959599% change) linmin: converged after 3 iterations. iteration 138: trace = 2.486461364515898 (0.000300416% change) large trace change predicted (0.000629382%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445716331159 (0.000629338% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.486440449171334 (0.000211835% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436895776177 (0.000142911% change) large trace change predicted (0.000492739%) linmin: converged after 4 iterations. iteration 142: trace = 2.486424655322516 (0.00049229% change) linmin: converged after 4 iterations. iteration 143: trace = 2.486421686662916 (0.000119395% change) large trace change predicted (0.000523451%) linmin: converged after 10 iterations. iteration 144: trace = 2.486408687610434 (0.000522803% change) linmin: converged after 4 iterations. iteration 145: trace = 2.486392113232 (0.000666601% change) linmin: converged after 3 iterations. iteration 146: trace = 2.48638767496669 (0.000178502% change) large trace change predicted (0.000458667%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376269150353 (0.000458731% change) linmin: converged after 3 iterations. iteration 148: trace = 2.486363868134095 (0.00049876% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486360020141585 (0.000154764% change) large trace change predicted (0.000898381%) linmin: converged after 3 iterations. iteration 150: trace = 2.48633766926405 (0.000898944% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486323711771616 (0.000561369% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310337681313 (0.000537908% change) linmin: converged after 3 iterations. iteration 153: trace = 2.486288331975046 (0.000885079% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486271225106229 (0.000688051% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265119523027 (0.000245572% change) linmin: converged after 3 iterations. iteration 156: trace = 2.486253269919989 (0.000476604% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244730143655 (0.00034348% change) linmin: converged after 4 iterations. iteration 158: trace = 2.486241812613554 (0.000117347% change) large trace change predicted (0.000398288%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231906757624 (0.000398428% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229664580289 (9.01838e-05% change) large trace change predicted (0.000229627%) linmin: converged after 4 iterations. iteration 161: trace = 2.486223955345893 (0.000229634% change) linmin: converged after 5 iterations. iteration 162: trace = 2.486219173894301 (0.000192318% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216829257594 (9.43054e-05% change) large trace change predicted (0.000290725%) linmin: converged after 5 iterations. iteration 164: trace = 2.486209608212981 (0.000290443% change) linmin: converged after 4 iterations. iteration 165: trace = 2.486199013671414 (0.000426133% change) linmin: converged after 17 iterations. iteration 166: trace = 2.486196265530599 (0.000110536% change) large trace change predicted (0.00027171%) linmin: converged after 3 iterations. iteration 167: trace = 2.486189512948585 (0.000271603% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181756066794 (0.000311999% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486179323769087 (9.78327e-05% change) large trace change predicted (0.000257253%) linmin: converged after 4 iterations. iteration 170: trace = 2.486172929258757 (0.000257203% change) linmin: converged after 11 iterations. iteration 171: trace = 2.486164272440679 (0.000348199% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160870826967 (0.000136822% change) large trace change predicted (0.000312913%) linmin: converged after 5 iterations. iteration 173: trace = 2.486153092905071 (0.000312849% change) linmin: converged after 4 iterations. iteration 174: trace = 2.486146000578267 (0.000285274% change) linmin: converged after 4 iterations. iteration 175: trace = 2.486143681343566 (9.32864e-05% change) large trace change predicted (0.000293246%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136393520917 (0.000293138% change) linmin: converged after 3 iterations. iteration 177: trace = 2.486132170407343 (0.000169867% change) linmin: converged after 5 iterations. iteration 178: trace = 2.4861290798842 (0.000124311% change) linmin: converged after 3 iterations. iteration 179: trace = 2.486124819623718 (0.000171361% change) linmin: converged after 14 iterations. iteration 180: trace = 2.486122480006945 (9.4107e-05% change) linmin: converged after 5 iterations. iteration 181: trace = 2.486119051945353 (0.000137888% change) large trace change predicted (0.000341072%) linmin: converged after 4 iterations. iteration 182: trace = 2.486110578341089 (0.000340837% change) linmin: converged after 3 iterations. iteration 183: trace = 2.48610631873161 (0.000171336% change) linmin: converged after 7 iterations. iteration 184: trace = 2.486103669410663 (0.000106565% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099622686836 (0.000162774% change) linmin: converged after 3 iterations. iteration 186: trace = 2.486096266104104 (0.000135014% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093692418533 (0.000103523% change) linmin: converged after 4 iterations. iteration 188: trace = 2.486088962571885 (0.000190252% change) linmin: converged after 3 iterations. iteration 189: trace = 2.486086851404823 (8.49192e-05% change) large trace change predicted (0.000211977%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081579492234 (0.000212057% change) linmin: converged after 4 iterations. iteration 191: trace = 2.48607542717039 (0.000247471% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072645174672 (0.000111903% change) linmin: converged after 4 iterations. iteration 193: trace = 2.48606795222307 (0.00018877% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062861000006 (0.00020479% change) linmin: converged after 3 iterations. iteration 195: trace = 2.486061515205364 (5.41336e-05% change) large trace change predicted (0.000141841%) linmin: converged after 3 iterations. iteration 196: trace = 2.486057987000488 (0.00014192% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054801582462 (0.000128131% change) linmin: converged after 5 iterations. iteration 198: trace = 2.486053803854167 (4.0133e-05% change) large trace change predicted (9.55884e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051426222631 (9.56388e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.486048723084297 (0.000108732% change) linmin: converged after 3 iterations. iteration 201: trace = 2.486047452776185 (5.10975e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045461107314 (8.01139e-05% change) large trace change predicted (0.000215485%) linmin: converged after 4 iterations. iteration 203: trace = 2.486040100555517 (0.000215626% change) linmin: converged after 4 iterations. iteration 204: trace = 2.486039195438819 (3.6408e-05% change) large trace change predicted (0.000211003%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033947199568 (0.000211109% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486032110074264 (7.38979e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.486030318307972 (7.20734e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.486028029975433 (9.20477e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486026373667968 (6.66247e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.486025166872233 (4.85432e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.486023386144047 (7.16296e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486022168317064 (4.8987e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486020691896948 (5.93889e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.486017955763419 (0.000110061% change) linmin: converged after 4 iterations. iteration 215: trace = 2.486017211423587 (2.99411e-05% change) large trace change predicted (8.37257e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.486015130827977 (8.3692e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.486012911602904 (8.92684e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486012376522608 (2.15236e-05% change) large trace change predicted (5.69447e-05%) linmin: converged after 4 iterations. iteration 219: trace = 2.486010961343736 (5.69257e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.486009235330904 (6.9429e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 2.486008753692238 (1.9374e-05% change) large trace change predicted (9.18065e-05%) linmin: converged after 4 iterations. iteration 222: trace = 2.486006472563171 (9.17587e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.486005202744596 (5.10787e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.48600402094751 (4.7538e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.486001715992288 (9.27173e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.485998277505499 (0.000138314% change) linmin: converged after 4 iterations. iteration 227: trace = 2.485997389811172 (3.57078e-05% change) large trace change predicted (0.000139069%) linmin: converged after 3 iterations. iteration 228: trace = 2.485993932963519 (0.000139053% change) linmin: converged after 5 iterations. iteration 229: trace = 2.485991867493671 (8.30843e-05% change) linmin: converged after 31 iterations. iteration 230: trace = 2.48599027905014 (6.38958e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.48598734244929 (0.000118126% change) linmin: converged after 3 iterations. iteration 232: trace = 2.48598665317835 (2.77262e-05% change) large trace change predicted (9.05589e-05%) linmin: converged after 3 iterations. iteration 233: trace = 2.48598440169944 (9.05669e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.48598255818857 (7.41562e-05% change) linmin: converged after 12 iterations. iteration 235: trace = 2.48598173469986 (3.31253e-05% change) large trace change predicted (0.0001031%) linmin: converged after 3 iterations. iteration 236: trace = 2.48597917115824 (0.00010312% change) linmin: converged after 3 iterations. iteration 237: trace = 2.485976308732689 (0.000115143% change) linmin: converged after 3 iterations. iteration 238: trace = 2.485975137995369 (4.70937e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.485973949882092 (4.77927e-05% change) linmin: converged after 4 iterations. iteration 240: trace = 2.485972556744319 (5.60399e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485972104561479 (1.81894e-05% change) large trace change predicted (5.11051e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.485970834291013 (5.10975e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.48596864622013 (8.80168e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.485968062115293 (2.34961e-05% change) large trace change predicted (7.70259e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.485966147502265 (7.70168e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.485963549490581 (0.000104507% change) linmin: converged after 3 iterations. iteration 247: trace = 2.485962850200034 (2.81296e-05% change) large trace change predicted (0.000143178%) linmin: converged after 3 iterations. iteration 248: trace = 2.4859592893143 (0.00014324% change) linmin: converged after 5 iterations. iteration 249: trace = 2.485957716430416 (6.32707e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485956303707158 (5.68281e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485954350914191 (7.8553e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.48595291942347 (5.75832e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485951936543484 (3.95374e-05% change) large trace change predicted (0.000113392%) linmin: converged after 3 iterations. iteration 254: trace = 2.485949116127905 (0.000113454% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485948414988657 (2.82041e-05% change) linmin: converged after 5 iterations. iteration 256: trace = 2.485947208740742 (4.85227e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.48594558977458 (6.51247e-05% change) linmin: converged after 2 iterations. iteration 258: trace = 2.485945031641014 (2.24516e-05% change) large trace change predicted (5.5737e-05%) linmin: converged after 4 iterations. iteration 259: trace = 2.485943646205389 (5.57308e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.485941640542053 (8.06802e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.485941126222096 (2.06891e-05% change) large trace change predicted (5.96096e-05%) linmin: converged after 3 iterations. iteration 262: trace = 2.485939644701213 (5.9596e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.485937741002082 (7.65787e-05% change) linmin: converged after 5 iterations. iteration 264: trace = 2.485937002412376 (2.97107e-05% change) large trace change predicted (7.70789e-05%) linmin: converged after 3 iterations. iteration 265: trace = 2.485935087017504 (7.70492e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.485932436781972 (0.000106609% change) linmin: converged after 3 iterations. iteration 267: trace = 2.485931529943933 (3.64788e-05% change) large trace change predicted (9.85903e-05%) linmin: converged after 4 iterations. iteration 268: trace = 2.485929080998471 (9.85122e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.485927521232576 (6.27438e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.485926711808941 (3.25602e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.485925117680023 (6.41262e-05% change) linmin: converged after 2 iterations. iteration 272: trace = 2.485924048588068 (4.30058e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.485923121497351 (3.72936e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485921651554153 (5.91307e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.485920353219106 (5.22275e-05% change) linmin: converged after 5 iterations. iteration 276: trace = 2.485919504625235 (3.4136e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485918077629644 (5.74031e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485917885362515 (7.73425e-06% change) large trace change predicted (3.49074e-05%) linmin: converged after 4 iterations. iteration 279: trace = 2.48591701763495 (3.49057e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.485916347060064 (2.6975e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.485916188295508 (6.38656e-06% change) large trace change predicted (3.77929e-05%) linmin: converged after 3 iterations. iteration 282: trace = 2.485915248916112 (3.77881e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485914587827717 (2.65934e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.485914164428874 (1.70319e-05% change) large trace change predicted (4.90824e-05%) linmin: converged after 3 iterations. iteration 285: trace = 2.485912944687426 (4.90661e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.485912086537694 (3.45205e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.485911688299455 (1.60198e-05% change) large trace change predicted (3.95027e-05%) linmin: converged after 3 iterations. iteration 288: trace = 2.485910706180056 (3.95074e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.485910052993737 (2.62755e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485908950215498 (4.43612e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907678676806 (5.11499e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.485907046474364 (2.54315e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485905900490975 (4.60992e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.485904563774659 (5.37718e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.485904246599695 (1.27589e-05% change) large trace change predicted (3.29606e-05%) linmin: converged after 5 iterations. iteration 296: trace = 2.48590342715458 (3.29637e-05% change) linmin: converged after 5 iterations. iteration 297: trace = 2.485902610192358 (3.28638e-05% change) linmin: converged after 5 iterations. iteration 298: trace = 2.485902356873933 (1.01902e-05% change) large trace change predicted (3.33467e-05%) linmin: converged after 3 iterations. iteration 299: trace = 2.485901527798427 (3.33511e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.485900858154055 (2.69377e-05% change) linmin: converged after 2 iterations. iteration 301: trace = 2.485900633206887 (9.04892e-06% change) large trace change predicted (2.22408e-05%) linmin: converged after 4 iterations. iteration 302: trace = 2.48590008033505 (2.22403e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.485899320331162 (3.05726e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.485899057338905 (1.05794e-05% change) large trace change predicted (3.8871e-05%) linmin: converged after 3 iterations. iteration 305: trace = 2.485898091323479 (3.88598e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.485897467509826 (2.50941e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485897202410925 (1.06641e-05% change) large trace change predicted (2.62683e-05%) linmin: converged after 5 iterations. iteration 308: trace = 2.485896549598138 (2.62607e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.48589593051353 (2.49039e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.485895653722854 (1.11344e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485895104827096 (2.20804e-05% change) linmin: converged after 5 iterations. iteration 312: trace = 2.4858944096805 (2.79636e-05% change) linmin: converged after 5 iterations. iteration 313: trace = 2.485894060871336 (1.40315e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485893619637824 (1.77495e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.485892934577319 (2.75579e-05% change) linmin: converged after 5 iterations. iteration 316: trace = 2.485892825464024 (4.3893e-06% change) large trace change predicted (2.1984e-05%) linmin: converged after 3 iterations. iteration 317: trace = 2.485892279030666 (2.19814e-05% change) linmin: converged after 7 iterations. iteration 318: trace = 2.48589208293147 (7.88848e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.485891853108862 (9.24508e-06% change) linmin: converged after 5 iterations. iteration 320: trace = 2.485891460425827 (1.57965e-05% change) linmin: converged after 5 iterations. iteration 321: trace = 2.485891232732401 (9.15943e-06% change) large trace change predicted (2.04194e-05%) linmin: converged after 4 iterations. iteration 322: trace = 2.485890725170938 (2.04177e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.48589012990976 (2.39456e-05% change) linmin: converged after 5 iterations. iteration 324: trace = 2.485889705390027 (1.70772e-05% change) linmin: converged after 2 iterations. iteration 325: trace = 2.485889551682678 (6.18319e-06% change) large trace change predicted (2.10638e-05%) linmin: converged after 3 iterations. iteration 326: trace = 2.485889028130945 (2.10609e-05% change) linmin: converged after 4 iterations. iteration 327: trace = 2.485888584556551 (1.78437e-05% change) linmin: converged after 3 iterations. iteration 328: trace = 2.485888415869833 (6.78577e-06% change) large trace change predicted (3.16087e-05%) linmin: converged after 2 iterations. iteration 329: trace = 2.485887630111566 (3.16088e-05% change) linmin: converged after 5 iterations. iteration 330: trace = 2.48588729420139 (1.35127e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.485886936727901 (1.43801e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.485886448935962 (1.96225e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.485886192707861 (1.03073e-05% change) linmin: converged after 4 iterations. iteration 334: trace = 2.485885928587517 (1.06248e-05% change) linmin: converged after 6 iterations. iteration 335: trace = 2.485885684296222 (9.82713e-06% change) linmin: converged after 6 iterations. iteration 336: trace = 2.485885557300003 (5.10869e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.485885383626012 (6.9864e-06% change) linmin: converged after 4 iterations. iteration 338: trace = 2.485885148287364 (9.467e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485885004529439 (5.78297e-06% change) linmin: converged after 3 iterations. iteration 340: trace = 2.485884823664137 (7.27569e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.485884558899109 (1.06507e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.485884354330445 (8.22921e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.485884190665952 (6.58375e-06% change) large trace change predicted (1.63975e-05%) linmin: converged after 5 iterations. iteration 344: trace = 2.485883782955618 (1.6401e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883634069954 (5.98924e-06% change) linmin: converged after 5 iterations. iteration 346: trace = 2.485883431233632 (8.15953e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.48588318785313 (9.7905e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.485883113154447 (3.00492e-06% change) large trace change predicted (3.58862e-05%) linmin: converged after 4 iterations. iteration 349: trace = 2.485882221259848 (3.58784e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.48588163523847 (2.3574e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.485881547820182 (3.51659e-06% change) large trace change predicted (9.17101e-06%) linmin: converged after 4 iterations. iteration 352: trace = 2.485881319847186 (9.17071e-06% change) linmin: converged after 4 iterations. iteration 353: trace = 2.485881120324055 (8.02625e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485881054463106 (2.6494e-06% change) large trace change predicted (1.20152e-05%) linmin: converged after 3 iterations. iteration 355: trace = 2.485880755840659 (1.20127e-05% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880648719814 (4.30917e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.485880471317711 (7.13639e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880295810396 (7.06017e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.485880210575614 (3.42876e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.485880052475384 (6.35993e-06% change) linmin: converged after 5 iterations. iteration 361: trace = 2.485879871808186 (7.26774e-06% change) linmin: converged after 2 iterations. iteration 362: trace = 2.485879823346368 (1.94948e-06% change) large trace change predicted (5.51191e-06%) linmin: converged after 3 iterations. iteration 363: trace = 2.4858796863362 (5.51154e-06% change) linmin: converged after 18 iterations. iteration 364: trace = 2.485879523320152 (6.55768e-06% change) linmin: converged after 5 iterations. iteration 365: trace = 2.485879460154083 (2.54099e-06% change) large trace change predicted (1.01116e-05%) linmin: converged after 5 iterations. iteration 366: trace = 2.485879208817208 (1.01106e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.485878939063318 (1.08514e-05% change) linmin: converged after 4 iterations. iteration 368: trace = 2.485878828514634 (4.44707e-06% change) large trace change predicted (1.10374e-05%) linmin: converged after 4 iterations. iteration 369: trace = 2.48587855416494 (1.10363e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.485878207487329 (1.39459e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.485878102283879 (4.23204e-06% change) large trace change predicted (1.37942e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.48587775938479 (1.37939e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.485877582675215 (7.10854e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.485877456236919 (5.08626e-06% change) linmin: converged after 5 iterations. iteration 375: trace = 2.485877246538033 (8.43561e-06% change) linmin: converged after 2 iterations. iteration 376: trace = 2.485877159623787 (3.49632e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.485877012321228 (5.92558e-06% change) large trace change predicted (1.2237e-05%) linmin: converged after 5 iterations. iteration 378: trace = 2.485876708103811 (1.22378e-05% change) linmin: converged after 5 iterations. iteration 379: trace = 2.485876523340683 (7.43251e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876464004362 (2.38694e-06% change) large trace change predicted (5.38592e-06%) linmin: converged after 2 iterations. iteration 381: trace = 2.485876330116614 (5.38594e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.485876151386436 (7.18983e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876113450401 (1.52606e-06% change) large trace change predicted (9.37891e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485875880299595 (9.37902e-06% change) linmin: converged after 18 iterations. iteration 385: trace = 2.485875753229903 (5.11167e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.485875636289292 (4.7042e-06% change) large trace change predicted (1.01242e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.485875384598107 (1.01249e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.485875288012091 (3.88539e-06% change) large trace change predicted (1.12254e-05%) linmin: converged after 3 iterations. iteration 389: trace = 2.485875008938657 (1.12264e-05% change) linmin: converged after 4 iterations. iteration 390: trace = 2.485874810247031 (7.99282e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874735442677 (3.00918e-06% change) large trace change predicted (7.22459e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.485874555837147 (7.22504e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.4858743260616 (9.24325e-06% change) linmin: converged after 7 iterations. iteration 394: trace = 2.485874232684316 (3.75632e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.485874051004536 (7.30849e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.485873822713678 (9.18353e-06% change) linmin: converged after 9 iterations. iteration 397: trace = 2.485873734379076 (3.55346e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873624387213 (4.42468e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873467273739 (6.32025e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.485873409039542 (2.34261e-06% change) large trace change predicted (7.01768e-06%) linmin: converged after 3 iterations. iteration 401: trace = 2.485873234594248 (7.01747e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.485873084145977 (6.05213e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873025598964 (2.35519e-06% change) large trace change predicted (6.13487e-06%) linmin: converged after 3 iterations. iteration 404: trace = 2.485872873107914 (6.13431e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.48587263277628 (9.6679e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.485872571667068 (2.45826e-06% change) large trace change predicted (8.05042e-06%) linmin: converged after 5 iterations. iteration 407: trace = 2.48587237156771 (8.04946e-06% change) linmin: converged after 5 iterations. iteration 408: trace = 2.485872146733366 (9.04449e-06% change) linmin: converged after 4 iterations. iteration 409: trace = 2.485872057598523 (3.58566e-06% change) large trace change predicted (8.66166e-06%) linmin: converged after 4 iterations. iteration 410: trace = 2.485871842309511 (8.6605e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.48587164147025 (8.07923e-06% change) linmin: converged after 2 iterations. iteration 412: trace = 2.485871602491409 (1.56802e-06% change) large trace change predicted (4.2202e-06%) linmin: converged after 9 iterations. iteration 413: trace = 2.485871497580084 (4.2203e-06% change) linmin: converged after 3 iterations. iteration 414: trace = 2.485871343638888 (6.19265e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.485871290034773 (2.15635e-06% change) large trace change predicted (6.33316e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.485871132591625 (6.33352e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.485871028191138 (4.19975e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.485871004598053 (9.49087e-07% change) large trace change predicted (3.06521e-06%) linmin: converged after 11 iterations. iteration 419: trace = 2.485870928403823 (3.06509e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.485870878473285 (2.00857e-06% change) linmin: converged after 4 iterations. iteration 421: trace = 2.485870859925591 (7.46125e-07% change) large trace change predicted (4.11161e-06%) linmin: converged after 4 iterations. iteration 422: trace = 2.485870757724144 (4.11129e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.485870648960753 (4.37526e-06% change) linmin: converged after 4 iterations. iteration 424: trace = 2.485870607558362 (1.66551e-06% change) large trace change predicted (5.32819e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.485870475125455 (5.32743e-06% change) linmin: converged after 7 iterations. iteration 426: trace = 2.485870394066934 (3.26077e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.485870365871045 (1.13425e-06% change) large trace change predicted (4.82611e-06%) linmin: converged after 4 iterations. iteration 428: trace = 2.485870245897866 (4.8262e-06% change) linmin: converged after 33 iterations. iteration 429: trace = 2.485870165773802 (3.22318e-06% change) linmin: converged after 3 iterations. iteration 430: trace = 2.485870078619072 (3.506e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.485869917257817 (6.49114e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.485869801509842 (4.65624e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.485869755668534 (1.84408e-06% change) large trace change predicted (6.1569e-06%) linmin: converged after 3 iterations. iteration 434: trace = 2.485869602582589 (6.15824e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.485869542854901 (2.40269e-06% change) linmin: converged after 2 iterations. iteration 436: trace = 2.485869482240744 (2.43835e-06% change) linmin: converged after 6 iterations. iteration 437: trace = 2.485869404967022 (3.10852e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.485869373362114 (1.27138e-06% change) large trace change predicted (3.64569e-06%) linmin: converged after 5 iterations. iteration 439: trace = 2.485869282724305 (3.64612e-06% change) linmin: converged after 4 iterations. iteration 440: trace = 2.485869210785134 (2.89392e-06% change) linmin: converged after 2 iterations. iteration 441: trace = 2.485869179877422 (1.24334e-06% change) large trace change predicted (2.68386e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.485869113166242 (2.68362e-06% change) linmin: converged after 4 iterations. iteration 443: trace = 2.485869015249003 (3.93895e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.485868985758716 (1.18632e-06% change) large trace change predicted (3.73164e-06%) linmin: converged after 8 iterations. iteration 445: trace = 2.485868893003277 (3.73131e-06% change) linmin: converged after 7 iterations. iteration 446: trace = 2.485868807682984 (3.43221e-06% change) linmin: converged after 5 iterations. iteration 447: trace = 2.485868786376011 (8.57124e-07% change) large trace change predicted (2.65763e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.485868720315518 (2.65744e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.485868642512631 (3.12981e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.485868588215304 (2.18424e-06% change) linmin: converged after 5 iterations. iteration 451: trace = 2.485868545361433 (1.7239e-06% change) large trace change predicted (3.49711e-06%) linmin: converged after 7 iterations. iteration 452: trace = 2.485868458435105 (3.49682e-06% change) linmin: converged after 4 iterations. iteration 453: trace = 2.485868418916094 (1.58975e-06% change) linmin: converged after 2 iterations. iteration 454: trace = 2.485868379189158 (1.59811e-06% change) linmin: converged after 3 iterations. iteration 455: trace = 2.485868300666847 (3.15875e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.485868288436338 (4.92001e-07% change) large trace change predicted (2.00709e-06%) linmin: converged after 3 iterations. iteration 457: trace = 2.485868238543353 (2.00706e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.485868200791285 (1.51867e-06% change) linmin: converged after 2 iterations. iteration 459: trace = 2.485868184734681 (6.45915e-07% change) large trace change predicted (1.59504e-06%) linmin: converged after 6 iterations. iteration 460: trace = 2.485868145085409 (1.59499e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.485868069867401 (3.02582e-06% change) linmin: converged after 3 iterations. iteration 462: trace = 2.485868050957518 (7.60695e-07% change) large trace change predicted (2.26876e-06%) linmin: converged after 7 iterations. iteration 463: trace = 2.485867994561877 (2.26865e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867954744798 (1.60174e-06% change) linmin: converged after 2 iterations. iteration 465: trace = 2.485867939466238 (6.14617e-07% change) large trace change predicted (2.67998e-06%) linmin: converged after 4 iterations. iteration 466: trace = 2.485867872849637 (2.67981e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867839872425 (1.32659e-06% change) linmin: converged after 3 iterations. iteration 468: trace = 2.485867792235761 (1.9163e-06% change) linmin: converged after 2 iterations. iteration 469: trace = 2.485867703102913 (3.58558e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.485867655138137 (1.9295e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.485867634116175 (8.45659e-07% change) large trace change predicted (2.09015e-06%) linmin: converged after 2 iterations. iteration 472: trace = 2.485867582156594 (2.0902e-06% change) linmin: converged after 2 iterations. iteration 473: trace = 2.48586754437224 (1.51997e-06% change) linmin: converged after 4 iterations. iteration 474: trace = 2.485867527220843 (6.89956e-07% change) linmin: converged after 2 iterations. iteration 475: trace = 2.485867499053792 (1.13309e-06% change) linmin: converged after 2 iterations. iteration 476: trace = 2.485867477091649 (8.8348e-07% change) linmin: converged after 4 iterations. iteration 477: trace = 2.485867471747004 (2.15001e-07% change) large trace change predicted (1.10127e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.485867444368998 (1.10135e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.485867430771725 (5.46983e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.485867412957638 (7.16615e-07% change) linmin: converged after 2 iterations. iteration 481: trace = 2.485867389519833 (9.42842e-07% change) linmin: converged after 3 iterations. iteration 482: trace = 2.485867358016574 (1.26729e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.485867341368934 (6.69691e-07% change) large trace change predicted (1.70575e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.485867298963686 (1.70585e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.485867279221113 (7.94193e-07% change) linmin: converged after 8 iterations. iteration 486: trace = 2.485867258234266 (8.44246e-07% change) linmin: converged after 2 iterations. iteration 487: trace = 2.485867228668993 (1.18933e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.485867212722213 (6.41498e-07% change) large trace change predicted (2.46037e-06%) linmin: converged after 4 iterations. iteration 489: trace = 2.485867151565192 (2.46019e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.485867101571639 (2.01111e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867087184195 (5.7877e-07% change) large trace change predicted (1.17624e-06%) linmin: converged after 4 iterations. iteration 492: trace = 2.485867057945274 (1.17621e-06% change) linmin: converged after 14 iterations. iteration 493: trace = 2.485867043012814 (6.00694e-07% change) linmin: converged after 4 iterations. iteration 494: trace = 2.485867026460719 (6.65848e-07% change) linmin: converged after 3 iterations. iteration 495: trace = 2.485866997571571 (1.16214e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.485866989178719 (3.37623e-07% change) large trace change predicted (8.41415e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.485866968263472 (8.41366e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.485866944166617 (9.69354e-07% change) linmin: converged after 4 iterations. iteration 499: trace = 2.485866937161816 (2.81785e-07% change) large trace change predicted (7.42117e-07%) linmin: converged after 4 iterations. iteration 500: trace = 2.485866918715161 (7.42061e-07% change) linmin: converged after 3 iterations. iteration 501: trace = 2.485866901747386 (6.8257e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866894679935 (2.84305e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866882925 (4.72871e-07% change) linmin: converged after 7 iterations. iteration 504: trace = 2.485866860874773 (8.87024e-07% change) linmin: converged after 15 iterations. iteration 505: trace = 2.485866855763954 (2.05595e-07% change) large trace change predicted (1.29537e-06%) linmin: converged after 16 iterations. iteration 506: trace = 2.485866823563391 (1.29535e-06% change) linmin: converged after 2 iterations. iteration 507: trace = 2.485866795672506 (1.12198e-06% change) linmin: converged after 2 iterations. iteration 508: trace = 2.485866781342491 (5.7646e-07% change) large trace change predicted (1.25789e-06%) linmin: converged after 4 iterations. iteration 509: trace = 2.485866750073213 (1.25788e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.485866705036255 (1.81172e-06% change) linmin: converged after 20 iterations. iteration 511: trace = 2.485866692901029 (4.88169e-07% change) large trace change predicted (1.54381e-06%) linmin: converged after 8 iterations. iteration 512: trace = 2.48586665452411 (1.5438e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.485866628558898 (1.04451e-06% change) linmin: converged after 5 iterations. iteration 514: trace = 2.485866621002648 (3.03968e-07% change) large trace change predicted (1.04501e-06%) linmin: converged after 2 iterations. iteration 515: trace = 2.485866595024822 (1.04502e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.485866568562977 (1.06449e-06% change) linmin: converged after 4 iterations. iteration 517: trace = 2.485866560684334 (3.16938e-07% change) large trace change predicted (1.25057e-06%) linmin: converged after 2 iterations. iteration 518: trace = 2.485866529596166 (1.2506e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.485866506793617 (9.17288e-07% change) linmin: converged after 16 iterations. iteration 520: trace = 2.485866498604544 (3.29425e-07% change) linmin: converged after 3 iterations. iteration 521: trace = 2.485866484467272 (5.68706e-07% change) linmin: converged after 2 iterations. iteration 522: trace = 2.485866462485677 (8.84263e-07% change) linmin: converged after 7 iterations. iteration 523: trace = 2.485866457458593 (2.02227e-07% change) large trace change predicted (8.22472e-07%) linmin: converged after 2 iterations. iteration 524: trace = 2.485866437012726 (8.22485e-07% change) linmin: converged after 3 iterations. iteration 525: trace = 2.485866415738983 (8.55788e-07% change) linmin: converged after 2 iterations. iteration 526: trace = 2.48586640650743 (3.71362e-07% change) large trace change predicted (1.22046e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.485866376167451 (1.2205e-06% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866343769472 (1.30329e-06% change) linmin: converged after 6 iterations. iteration 529: trace = 2.48586633395703 (3.94729e-07% change) linmin: converged after 3 iterations. iteration 530: trace = 2.485866315115366 (7.57952e-07% change) linmin: converged after 5 iterations. iteration 531: trace = 2.485866288591193 (1.067e-06% change) linmin: converged after 5 iterations. iteration 532: trace = 2.485866281583884 (2.81886e-07% change) large trace change predicted (1.14513e-06%) linmin: converged after 3 iterations. iteration 533: trace = 2.485866253116682 (1.14516e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.485866242445959 (4.29256e-07% change) large trace change predicted (8.74981e-07%) linmin: converged after 2 iterations. iteration 535: trace = 2.485866220694944 (8.74987e-07% change) linmin: converged after 2 iterations. iteration 536: trace = 2.485866197093175 (9.49438e-07% change) linmin: converged after 2 iterations. iteration 537: trace = 2.485866179032409 (7.26538e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866169262285 (3.93027e-07% change) linmin: converged after 18 iterations. iteration 539: trace = 2.485866150352556 (7.6069e-07% change) linmin: converged after 2 iterations. iteration 540: trace = 2.485866136723909 (5.48245e-07% change) linmin: converged after 2 iterations. iteration 541: trace = 2.485866129026892 (3.09631e-07% change) large trace change predicted (8.03579e-07%) linmin: converged after 4 iterations. iteration 542: trace = 2.485866109051444 (8.03561e-07% change) linmin: converged after 6 iterations. iteration 543: trace = 2.485866091183167 (7.18795e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.48586608420334 (2.8078e-07% change) large trace change predicted (1.10846e-06%) linmin: converged after 5 iterations. iteration 545: trace = 2.485866056650919 (1.10836e-06% change) linmin: converged after 2 iterations. iteration 546: trace = 2.485866047147445 (3.823e-07% change) large trace change predicted (8.91114e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485866024997367 (8.91041e-07% change) linmin: converged after 3 iterations. iteration 548: trace = 2.485866002581575 (9.0173e-07% change) linmin: converged after 4 iterations. iteration 549: trace = 2.485865990539736 (4.84412e-07% change) linmin: converged after 16 iterations. iteration 550: trace = 2.485865969919678 (8.29492e-07% change) linmin: converged after 5 iterations. iteration 551: trace = 2.485865949015933 (8.40904e-07% change) linmin: converged after 6 iterations. iteration 552: trace = 2.485865938771005 (4.12127e-07% change) linmin: converged after 15 iterations. iteration 553: trace = 2.485865933609765 (2.07623e-07% change) large trace change predicted (7.82819e-07%) linmin: converged after 2 iterations. iteration 554: trace = 2.485865914149639 (7.82831e-07% change) linmin: converged after 2 iterations. iteration 555: trace = 2.485865896494639 (7.10215e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.485865890374073 (2.46215e-07% change) linmin: converged after 2 iterations. iteration 557: trace = 2.485865878863494 (4.63041e-07% change) linmin: converged after 4 iterations. iteration 558: trace = 2.485865871201731 (3.08213e-07% change) linmin: converged after 4 iterations. iteration 559: trace = 2.485865868212046 (1.20267e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865865503501 (1.08958e-07% change) large trace change predicted (2.34326e-07%) linmin: converged after 3 iterations. iteration 561: trace = 2.485865859678487 (2.34325e-07% change) linmin: converged after 26 iterations. iteration 562: trace = 2.485865848999738 (4.29579e-07% change) linmin: converged after 24 iterations. iteration 563: trace = 2.485865844941468 (1.63254e-07% change) large trace change predicted (5.78759e-07%) linmin: converged after 4 iterations. iteration 564: trace = 2.485865830554708 (5.78742e-07% change) linmin: converged after 3 iterations. iteration 565: trace = 2.485865815333188 (6.12323e-07% change) linmin: converged after 2 iterations. iteration 566: trace = 2.485865812006755 (1.33814e-07% change) large trace change predicted (4.21399e-07%) linmin: converged after 4 iterations. iteration 567: trace = 2.485865801531487 (4.21393e-07% change) linmin: converged after 19 iterations. iteration 568: trace = 2.485865791009122 (4.23288e-07% change) linmin: converged after 4 iterations. iteration 569: trace = 2.485865785847936 (2.07621e-07% change) large trace change predicted (5.77267e-07%) linmin: converged after 6 iterations. iteration 570: trace = 2.485865771497487 (5.77282e-07% change) linmin: converged after 8 iterations. iteration 571: trace = 2.485865761502249 (4.02083e-07% change) linmin: converged after 13 iterations. iteration 572: trace = 2.485865747084468 (5.7999e-07% change) linmin: converged after 3 iterations. iteration 573: trace = 2.485865734017684 (5.25643e-07% change) linmin: converged after 2 iterations. iteration 574: trace = 2.485865719619251 (5.79212e-07% change) linmin: converged after 4 iterations. iteration 575: trace = 2.485865714626089 (2.00862e-07% change) large trace change predicted (5.94586e-07%) linmin: converged after 6 iterations. iteration 576: trace = 2.48586569984497 (5.94606e-07% change) linmin: converged after 2 iterations. iteration 577: trace = 2.485865694542154 (2.13319e-07% change) linmin: converged after 4 iterations. iteration 578: trace = 2.48586568815343 (2.57002e-07% change) linmin: converged after 2 iterations. iteration 579: trace = 2.485865679144037 (3.62425e-07% change) linmin: converged after 4 iterations. iteration 580: trace = 2.485865668758563 (4.17781e-07% change) linmin: converged after 10 iterations. iteration 581: trace = 2.485865665894651 (1.15208e-07% change) large trace change predicted (3.88762e-07%) linmin: converged after 8 iterations. iteration 582: trace = 2.485865656230662 (3.88757e-07% change) linmin: converged after 19 iterations. iteration 583: trace = 2.485865646350554 (3.97451e-07% change) linmin: converged after 3 iterations. iteration 584: trace = 2.485865643083129 (1.3144e-07% change) large trace change predicted (4.43719e-07%) linmin: converged after 5 iterations. iteration 585: trace = 2.485865632053198 (4.43706e-07% change) linmin: converged after 4 iterations. iteration 586: trace = 2.485865621790003 (4.12862e-07% change) linmin: converged after 4 iterations. iteration 587: trace = 2.485865618793428 (1.20545e-07% change) large trace change predicted (3.26761e-07%) linmin: converged after 4 iterations. iteration 588: trace = 2.485865610670743 (3.26755e-07% change) linmin: converged after 7 iterations. iteration 589: trace = 2.485865602022764 (3.47886e-07% change) linmin: converged after 10 iterations. iteration 590: trace = 2.485865598758723 (1.31304e-07% change) large trace change predicted (2.90215e-07%) linmin: converged after 17 iterations. iteration 591: trace = 2.485865591544562 (2.90207e-07% change) linmin: converged after 4 iterations. iteration 592: trace = 2.485865579294718 (4.9278e-07% change) linmin: converged after 3 iterations. iteration 593: trace = 2.485865577077474 (8.9194e-08% change) large trace change predicted (3.44908e-07%) linmin: converged after 9 iterations. iteration 594: trace = 2.485865568503586 (3.44906e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865562414797 (2.44936e-07% change) linmin: converged after 4 iterations. iteration 596: trace = 2.485865560752574 (6.6867e-08% change) large trace change predicted (2.47686e-07%) linmin: converged after 6 iterations. iteration 597: trace = 2.485865554595437 (2.47686e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.485865552017962 (1.03685e-07% change) linmin: converged after 6 iterations. iteration 599: trace = 2.485865547362883 (1.87262e-07% change) linmin: converged after 2 iterations. iteration 600: trace = 2.485865541541992 (2.3416e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.485865534741281 (2.73575e-07% change) linmin: converged after 2 iterations. iteration 602: trace = 2.485865532376236 (9.51397e-08% change) large trace change predicted (3.35525e-07%) linmin: converged after 4 iterations. iteration 603: trace = 2.485865524035733 (3.35517e-07% change) linmin: converged after 2 iterations. iteration 604: trace = 2.485865520248796 (1.52339e-07% change) linmin: converged after 9 iterations. iteration 605: trace = 2.485865516808312 (1.38402e-07% change) linmin: converged after 2 iterations. iteration 606: trace = 2.48586551103727 (2.32154e-07% change) linmin: converged after 14 iterations. iteration 607: trace = 2.485865508782052 (9.07216e-08% change) large trace change predicted (3.42652e-07%) linmin: converged after 2 iterations. iteration 608: trace = 2.485865500264151 (3.42653e-07% change) linmin: converged after 2 iterations. iteration 609: trace = 2.485865490753303 (3.82597e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.485865484218413 (2.62882e-07% change) linmin: converged after 7 iterations. iteration 611: trace = 2.485865481741561 (9.96374e-08% change) large trace change predicted (2.01608e-07%) linmin: converged after 2 iterations. iteration 612: trace = 2.48586547672983 (2.01609e-07% change) linmin: converged after 4 iterations. iteration 613: trace = 2.48586547186322 (1.95771e-07% change) linmin: converged after 4 iterations. iteration 614: trace = 2.485865470753098 (4.46574e-08% change) large trace change predicted (1.48345e-07%) linmin: converged after 3 iterations. iteration 615: trace = 2.485865467065396 (1.48347e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.485865464504662 (1.03012e-07% change) linmin: converged after 3 iterations. iteration 617: trace = 2.485865463762855 (2.9841e-08% change) large trace change predicted (9.07075e-08%) linmin: converged after 8 iterations. iteration 618: trace = 2.48586546150797 (9.07083e-08% change) linmin: converged after 3 iterations. iteration 619: trace = 2.485865458587172 (1.17496e-07% change) linmin: converged after 4 iterations. iteration 620: trace = 2.485865457789892 (3.20725e-08% change) large trace change predicted (1.66561e-07%) linmin: converged after 3 iterations. iteration 621: trace = 2.485865453649295 (1.66566e-07% change) linmin: converged after 17 iterations. iteration 622: trace = 2.485865450537383 (1.25184e-07% change) linmin: converged after 4 iterations. iteration 623: trace = 2.485865449475593 (4.27131e-08% change) large trace change predicted (1.73238e-07%) linmin: converged after 6 iterations. iteration 624: trace = 2.485865445169074 (1.7324e-07% change) linmin: converged after 23 iterations. iteration 625: trace = 2.485865442489699 (1.07784e-07% change) linmin: converged after 6 iterations. iteration 626: trace = 2.485865439941679 (1.025e-07% change) linmin: converged after 6 iterations. iteration 627: trace = 2.485865435908128 (1.62259e-07% change) linmin: converged after 11 iterations. iteration 628: trace = 2.485865431157637 (1.911e-07% change) linmin: converged after 11 iterations. iteration 629: trace = 2.485865427101493 (1.63168e-07% change) resetting CG direction... linmin: converged after 21 iterations. iteration 630: trace = 2.485865423357861 (1.50597e-07% change) linmin: converged after 2 iterations. iteration 631: trace = 2.485865419368249 (1.60492e-07% change) linmin: converged after 2 iterations. iteration 632: trace = 2.485865415528656 (1.54457e-07% change) linmin: converged after 4 iterations. iteration 633: trace = 2.48586541358759 (7.80841e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.485865411289778 (9.24351e-08% change) linmin: converged after 4 iterations. iteration 635: trace = 2.485865407954901 (1.34154e-07% change) linmin: converged after 2 iterations. iteration 636: trace = 2.485865407041981 (3.67245e-08% change) large trace change predicted (9.15716e-08%) linmin: converged after 5 iterations. iteration 637: trace = 2.485865404765695 (9.15692e-08% change) linmin: converged after 6 iterations. iteration 638: trace = 2.485865401590459 (1.27732e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.48586540090386 (2.76201e-08% change) large trace change predicted (8.54483e-08%) linmin: converged after 31 iterations. iteration 640: trace = 2.485865398779757 (8.54472e-08% change) linmin: converged after 3 iterations. iteration 641: trace = 2.485865396981202 (7.23513e-08% change) linmin: converged after 7 iterations. iteration 642: trace = 2.48586539642024 (2.25661e-08% change) large trace change predicted (7.92496e-08%) linmin: converged after 3 iterations. iteration 643: trace = 2.485865394450216 (7.9249e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.485865392443733 (8.07157e-08% change) linmin: converged after 22 iterations. iteration 645: trace = 2.485865391519065 (3.7197e-08% change) large trace change predicted (1.37228e-07%) linmin: converged after 4 iterations. iteration 646: trace = 2.485865388107801 (1.37226e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.485865385897677 (8.89077e-08% change) linmin: converged after 2 iterations. iteration 648: trace = 2.485865383612679 (9.19196e-08% change) linmin: converged after 6 iterations. iteration 649: trace = 2.485865379374305 (1.70499e-07% change) linmin: converged after 3 iterations. iteration 650: trace = 2.485865375145342 (1.7012e-07% change) linmin: converged after 2 iterations. iteration 651: trace = 2.485865372992205 (8.66152e-08% change) large trace change predicted (2.12091e-07%) linmin: converged after 2 iterations. iteration 652: trace = 2.485865367719915 (2.12091e-07% change) linmin: converged after 4 iterations. iteration 653: trace = 2.48586536661494 (4.44503e-08% change) large trace change predicted (9.92412e-08%) linmin: converged after 6 iterations. iteration 654: trace = 2.485865364147934 (9.92413e-08% change) linmin: converged after 4 iterations. iteration 655: trace = 2.485865360968358 (1.27906e-07% change) linmin: converged after 3 iterations. iteration 656: trace = 2.485865357868307 (1.24707e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.48586535672386 (4.60382e-08% change) large trace change predicted (1.13558e-07%) linmin: converged after 10 iterations. iteration 658: trace = 2.485865353900925 (1.13559e-07% change) linmin: converged after 7 iterations. iteration 659: trace = 2.485865350230879 (1.47637e-07% change) linmin: converged after 3 iterations. iteration 660: trace = 2.485865348205933 (8.14584e-08% change) linmin: converged after 4 iterations. iteration 661: trace = 2.485865347043044 (4.678e-08% change) linmin: converged after 2 iterations. iteration 662: trace = 2.485865344739612 (9.26611e-08% change) linmin: converged after 2 iterations. iteration 663: trace = 2.485865343806831 (3.75234e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865341972815 (7.37778e-08% change) linmin: converged after 13 iterations. iteration 665: trace = 2.48586533884024 (1.26015e-07% change) linmin: converged after 13 iterations. iteration 666: trace = 2.485865337787837 (4.23355e-08% change) large trace change predicted (1.18628e-07%) linmin: converged after 3 iterations. iteration 667: trace = 2.485865334838874 (1.18629e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.485865331015424 (1.53808e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.485865329210348 (7.26136e-08% change) linmin: converged after 5 iterations. iteration 670: trace = 2.485865327672875 (6.18486e-08% change) large trace change predicted (1.35989e-07%) linmin: converged after 4 iterations. iteration 671: trace = 2.485865324292354 (1.3599e-07% change) linmin: converged after 12 iterations. iteration 672: trace = 2.48586532328919 (4.03547e-08% change) large trace change predicted (1.14373e-07%) linmin: converged after 5 iterations. iteration 673: trace = 2.485865320446003 (1.14374e-07% change) linmin: converged after 8 iterations. iteration 674: trace = 2.485865317869838 (1.03633e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865316463755 (5.65631e-08% change) linmin: converged after 3 iterations. iteration 676: trace = 2.485865314002587 (9.90065e-08% change) linmin: converged after 4 iterations. iteration 677: trace = 2.48586531123365 (1.11387e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.485865310533048 (2.81834e-08% change) large trace change predicted (1.02062e-07%) linmin: converged after 4 iterations. iteration 679: trace = 2.485865307995932 (1.02062e-07% change) linmin: converged after 6 iterations. iteration 680: trace = 2.485865306525829 (5.91385e-08% change) linmin: converged after 2 iterations. iteration 681: trace = 2.485865305658059 (3.49081e-08% change) large trace change predicted (1.00686e-07%) linmin: converged after 4 iterations. iteration 682: trace = 2.485865303155165 (1.00685e-07% change) linmin: converged after 11 iterations. iteration 683: trace = 2.485865301283292 (7.53007e-08% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865299812485 (5.91668e-08% change) large trace change predicted (1.29436e-07%) linmin: converged after 4 iterations. iteration 685: trace = 2.485865296594995 (1.29431e-07% change) linmin: converged after 4 iterations. iteration 686: trace = 2.48586529424914 (9.43677e-08% change) linmin: converged after 3 iterations. iteration 687: trace = 2.48586529141799 (1.1389e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.485865289853964 (6.29168e-08% change) linmin: converged after 11 iterations. iteration 689: trace = 2.485865287378842 (9.95678e-08% change) linmin: converged after 19 iterations. iteration 690: trace = 2.48586528652544 (3.43302e-08% change) large trace change predicted (7.42357e-08%) linmin: converged after 4 iterations. iteration 691: trace = 2.485865284680049 (7.42354e-08% change) linmin: converged after 6 iterations. iteration 692: trace = 2.485865283171661 (6.06786e-08% change) linmin: converged after 3 iterations. iteration 693: trace = 2.485865282663451 (2.0444e-08% change) large trace change predicted (8.02708e-08%) linmin: converged after 3 iterations. iteration 694: trace = 2.485865280668004 (8.02717e-08% change) linmin: converged after 2 iterations. iteration 695: trace = 2.485865278464 (8.86614e-08% change) linmin: converged after 4 iterations. iteration 696: trace = 2.485865277940627 (2.10539e-08% change) large trace change predicted (5.6231e-08%) linmin: converged after 4 iterations. iteration 697: trace = 2.485865276542788 (5.62315e-08% change) linmin: converged after 2 iterations. iteration 698: trace = 2.48586527564571 (3.60872e-08% change) linmin: converged after 26 iterations. iteration 699: trace = 2.485865275363273 (1.13617e-08% change) resetting CG direction... linmin: converged after 10 iterations. iteration 700: trace = 2.485865275089698 (1.10052e-08% change) large trace change predicted (3.19599e-08%) linmin: converged after 20 iterations. iteration 701: trace = 2.485865274295219 (3.19598e-08% change) linmin: converged after 9 iterations. iteration 702: trace = 2.485865273078332 (4.89523e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865272628861 (1.80811e-08% change) large trace change predicted (7.47294e-08%) linmin: converged after 15 iterations. iteration 704: trace = 2.485865270771221 (7.47281e-08% change) linmin: converged after 3 iterations. iteration 705: trace = 2.485865269073765 (6.82843e-08% change) linmin: converged after 26 iterations. iteration 706: trace = 2.485865268642833 (1.73353e-08% change) large trace change predicted (4.73656e-08%) linmin: converged after 8 iterations. iteration 707: trace = 2.485865267465392 (4.73654e-08% change) linmin: converged after 2 iterations. iteration 708: trace = 2.485865266103631 (5.47802e-08% change) linmin: converged after 4 iterations. iteration 709: trace = 2.485865265495557 (2.44613e-08% change) large trace change predicted (6.75578e-08%) linmin: converged after 4 iterations. iteration 710: trace = 2.485865263816148 (6.75583e-08% change) linmin: converged after 22 iterations. iteration 711: trace = 2.485865262545363 (5.11204e-08% change) linmin: converged after 6 iterations. iteration 712: trace = 2.485865261102452 (5.80446e-08% change) linmin: converged after 13 iterations. iteration 713: trace = 2.485865259474179 (6.55013e-08% change) linmin: converged after 2 iterations. iteration 714: trace = 2.485865258061827 (5.68153e-08% change) linmin: converged after 2 iterations. iteration 715: trace = 2.485865257149092 (3.6717e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.485865255350319 (7.236e-08% change) linmin: converged after 4 iterations. iteration 717: trace = 2.485865254786986 (2.26614e-08% change) linmin: converged after 2 iterations. iteration 718: trace = 2.485865253969552 (3.28833e-08% change) linmin: converged after 2 iterations. iteration 719: trace = 2.485865252924573 (4.20369e-08% change) linmin: converged after 3 iterations. iteration 720: trace = 2.4858652521049 (3.29733e-08% change) linmin: converged after 3 iterations. iteration 721: trace = 2.485865251418526 (2.76111e-08% change) linmin: converged after 20 iterations. iteration 722: trace = 2.485865250158511 (5.06872e-08% change) linmin: converged after 22 iterations. iteration 723: trace = 2.485865249164971 (3.99676e-08% change) linmin: converged after 6 iterations. iteration 724: trace = 2.485865248718252 (1.79704e-08% change) large trace change predicted (5.71875e-08%) linmin: converged after 4 iterations. iteration 725: trace = 2.485865247296662 (5.71869e-08% change) linmin: converged after 6 iterations. iteration 726: trace = 2.485865245931024 (5.49362e-08% change) linmin: converged after 4 iterations. iteration 727: trace = 2.48586524566789 (1.05852e-08% change) large trace change predicted (4.55416e-08%) linmin: converged after 4 iterations. iteration 728: trace = 2.485865244535795 (4.55413e-08% change) linmin: converged after 7 iterations. iteration 729: trace = 2.485865243420896 (4.48495e-08% change) linmin: converged after 3 iterations. iteration 730: trace = 2.48586524310321 (1.27797e-08% change) large trace change predicted (3.71358e-08%) linmin: converged after 4 iterations. iteration 731: trace = 2.485865242180073 (3.71354e-08% change) linmin: converged after 10 iterations. iteration 732: trace = 2.485865240904888 (5.12974e-08% change) linmin: converged after 5 iterations. iteration 733: trace = 2.485865240548972 (1.43176e-08% change) large trace change predicted (3.68924e-08%) linmin: converged after 4 iterations. iteration 734: trace = 2.485865239631882 (3.68922e-08% change) linmin: converged after 5 iterations. iteration 735: trace = 2.485865238905065 (2.9238e-08% change) linmin: converged after 22 iterations. iteration 736: trace = 2.485865238680252 (9.04365e-09% change) large trace change predicted (2.68903e-08%) linmin: converged after 4 iterations. iteration 737: trace = 2.485865238011798 (2.68902e-08% change) linmin: converged after 6 iterations. iteration 738: trace = 2.485865237274125 (2.96747e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865237102908 (6.88763e-09% change) large trace change predicted (3.11569e-08%) linmin: converged after 5 iterations. iteration 740: trace = 2.485865236328397 (3.11566e-08% change) linmin: converged after 6 iterations. iteration 741: trace = 2.485865235587294 (2.98127e-08% change) linmin: converged after 6 iterations. iteration 742: trace = 2.485865235310246 (1.11449e-08% change) large trace change predicted (3.87434e-08%) linmin: converged after 7 iterations. iteration 743: trace = 2.485865234347145 (3.87431e-08% change) linmin: converged after 4 iterations. iteration 744: trace = 2.48586523369963 (2.60479e-08% change) linmin: converged after 21 iterations. iteration 745: trace = 2.485865233442971 (1.03247e-08% change) large trace change predicted (2.6758e-08%) linmin: converged after 2 iterations. iteration 746: trace = 2.485865232777808 (2.67578e-08% change) linmin: converged after 4 iterations. iteration 747: trace = 2.485865231802349 (3.92402e-08% change) linmin: converged after 4 iterations. iteration 748: trace = 2.485865231508419 (1.18241e-08% change) large trace change predicted (4.49498e-08%) linmin: converged after 4 iterations. iteration 749: trace = 2.485865230391024 (4.49499e-08% change) linmin: converged after 7 iterations. iteration 750: trace = 2.485865229576396 (3.27704e-08% change) linmin: converged after 4 iterations. iteration 751: trace = 2.48586522929509 (1.13162e-08% change) large trace change predicted (2.41685e-08%) linmin: converged after 7 iterations. iteration 752: trace = 2.485865228694293 (2.41686e-08% change) linmin: converged after 2 iterations. iteration 753: trace = 2.485865228134461 (2.25206e-08% change) linmin: converged after 3 iterations. iteration 754: trace = 2.485865227933987 (8.06455e-09% change) linmin: converged after 2 iterations. iteration 755: trace = 2.485865227592155 (1.3751e-08% change) linmin: converged after 9 iterations. iteration 756: trace = 2.485865227249252 (1.37941e-08% change) linmin: converged after 5 iterations. iteration 757: trace = 2.485865226997093 (1.01437e-08% change) linmin: converged after 2 iterations. iteration 758: trace = 2.485865226879096 (4.74671e-09% change) large trace change predicted (1.47097e-08%) linmin: converged after 6 iterations. iteration 759: trace = 2.485865226513434 (1.47097e-08% change) linmin: converged after 4 iterations. iteration 760: trace = 2.485865226339644 (6.99112e-09% change) large trace change predicted (1.50859e-08%) linmin: converged after 6 iterations. iteration 761: trace = 2.485865225964624 (1.50861e-08% change) linmin: converged after 4 iterations. iteration 762: trace = 2.485865225595898 (1.48329e-08% change) linmin: converged after 2 iterations. iteration 763: trace = 2.485865225331285 (1.06447e-08% change) linmin: converged after 9 iterations. iteration 764: trace = 2.485865224979782 (1.414e-08% change) linmin: converged after 6 iterations. iteration 765: trace = 2.485865224420981 (2.24791e-08% change) linmin: converged after 2 iterations. iteration 766: trace = 2.485865224318745 (4.11271e-09% change) large trace change predicted (2.22147e-08%) linmin: converged after 4 iterations. iteration 767: trace = 2.48586522376652 (2.22146e-08% change) linmin: converged after 10 iterations. iteration 768: trace = 2.485865223158588 (2.44555e-08% change) linmin: converged after 6 iterations. iteration 769: trace = 2.485865222344521 (3.27479e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.485865221607219 (2.96598e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.485865221111237 (1.99521e-08% change) linmin: converged after 18 iterations. iteration 772: trace = 2.485865220607016 (2.02835e-08% change) linmin: converged after 3 iterations. iteration 773: trace = 2.485865220515651 (3.67537e-09% change) large trace change predicted (1.56863e-08%) linmin: converged after 6 iterations. iteration 774: trace = 2.485865220125708 (1.56864e-08% change) linmin: converged after 4 iterations. iteration 775: trace = 2.48586521981164 (1.26342e-08% change) linmin: converged after 22 iterations. iteration 776: trace = 2.485865219695924 (4.65495e-09% change) large trace change predicted (1.29818e-08%) linmin: converged after 4 iterations. iteration 777: trace = 2.485865219373218 (1.29816e-08% change) linmin: converged after 6 iterations. iteration 778: trace = 2.485865219049701 (1.30143e-08% change) linmin: converged after 32 iterations. iteration 779: trace = 2.485865218938882 (4.45794e-09% change) large trace change predicted (9.55996e-09%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865218701238 (9.5598e-09% change) linmin: converged after 11 iterations. iteration 781: trace = 2.485865218588131 (4.55002e-09% change) linmin: converged after 2 iterations. iteration 782: trace = 2.485865218400682 (7.54058e-09% change) linmin: converged after 6 iterations. iteration 783: trace = 2.485865218192125 (8.38974e-09% change) linmin: converged after 13 iterations. iteration 784: trace = 2.485865218003905 (7.5716e-09% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865217861587 (5.7251e-09% change) large trace change predicted (1.74577e-08%) linmin: converged after 3 iterations. iteration 786: trace = 2.485865217427615 (1.74576e-08% change) linmin: converged after 4 iterations. iteration 787: trace = 2.485865217136729 (1.17016e-08% change) linmin: converged after 4 iterations. iteration 788: trace = 2.485865216949835 (7.51831e-09% change) large trace change predicted (2.27377e-08%) linmin: converged after 6 iterations. iteration 789: trace = 2.485865216384606 (2.27377e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.485865215843508 (2.1767e-08% change) linmin: converged after 4 iterations. iteration 791: trace = 2.4858652156368 (8.31535e-09% change) large trace change predicted (2.18464e-08%) linmin: converged after 4 iterations. iteration 792: trace = 2.485865215093726 (2.18464e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.485865214884203 (8.42859e-09% change) linmin: converged after 17 iterations. iteration 794: trace = 2.485865214672683 (8.50891e-09% change) linmin: converged after 4 iterations. iteration 795: trace = 2.485865214251588 (1.69396e-08% change) linmin: converged after 8 iterations. iteration 796: trace = 2.485865213906903 (1.38658e-08% change) linmin: converged after 3 iterations. iteration 797: trace = 2.485865213756029 (6.06929e-09% change) linmin: converged after 2 iterations. iteration 798: trace = 2.485865213479086 (1.11407e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.485865213050333 (1.72476e-08% change) linmin: converged after 6 iterations. iteration 800: trace = 2.485865212973057 (3.10861e-09% change) large trace change predicted (1.17832e-08%) linmin: converged after 5 iterations. iteration 801: trace = 2.485865212680141 (1.17833e-08% change) linmin: converged after 4 iterations. iteration 802: trace = 2.485865212412143 (1.07809e-08% change) linmin: converged after 2 iterations. iteration 803: trace = 2.485865212321861 (3.6318e-09% change) large trace change predicted (1.01807e-08%) linmin: converged after 4 iterations. iteration 804: trace = 2.485865212068783 (1.01807e-08% change) linmin: converged after 3 iterations. iteration 805: trace = 2.485865211751488 (1.2764e-08% change) linmin: converged after 4 iterations. iteration 806: trace = 2.485865211629035 (4.92596e-09% change) large trace change predicted (1.67951e-08%) linmin: converged after 4 iterations. iteration 807: trace = 2.48586521121153 (1.67951e-08% change) linmin: converged after 4 iterations. iteration 808: trace = 2.485865210821904 (1.56737e-08% change) linmin: converged after 4 iterations. iteration 809: trace = 2.485865210640557 (7.29514e-09% change) linmin: converged after 2 iterations. iteration 810: trace = 2.485865210364135 (1.11197e-08% change) linmin: converged after 10 iterations. iteration 811: trace = 2.485865209897802 (1.87594e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.4858652098156 (3.30679e-09% change) large trace change predicted (1.32434e-08%) linmin: converged after 4 iterations. iteration 813: trace = 2.48586520948639 (1.32433e-08% change) linmin: converged after 10 iterations. iteration 814: trace = 2.485865209222684 (1.06082e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.485865208893399 (1.32463e-08% change) linmin: converged after 9 iterations. iteration 816: trace = 2.48586520877764 (4.6567e-09% change) large trace change predicted (1.43576e-08%) linmin: converged after 14 iterations. iteration 817: trace = 2.485865208420727 (1.43577e-08% change) linmin: converged after 7 iterations. iteration 818: trace = 2.485865208289867 (5.26417e-09% change) linmin: converged after 12 iterations. iteration 819: trace = 2.485865208108083 (7.31272e-09% change) linmin: converged after 7 iterations. iteration 820: trace = 2.485865207862913 (9.86257e-09% change) linmin: converged after 3 iterations. iteration 821: trace = 2.485865207755811 (4.30843e-09% change) large trace change predicted (9.83203e-09%) linmin: converged after 2 iterations. iteration 822: trace = 2.485865207511402 (9.83195e-09% change) linmin: converged after 6 iterations. iteration 823: trace = 2.485865207242026 (1.08363e-08% change) linmin: converged after 14 iterations. iteration 824: trace = 2.485865207162147 (3.21334e-09% change) large trace change predicted (1.23632e-08%) linmin: converged after 6 iterations. iteration 825: trace = 2.48586520685482 (1.2363e-08% change) linmin: converged after 6 iterations. iteration 826: trace = 2.485865206538338 (1.27312e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.485865206156574 (1.53574e-08% change) linmin: converged after 12 iterations. iteration 828: trace = 2.48586520600413 (6.13243e-09% change) large trace change predicted (1.46167e-08%) linmin: converged after 5 iterations. iteration 829: trace = 2.485865205640776 (1.46168e-08% change) linmin: converged after 2 iterations. iteration 830: trace = 2.485865205361748 (1.12246e-08% change) linmin: converged after 3 iterations. iteration 831: trace = 2.485865205280454 (3.27027e-09% change) linmin: converged after 18 iterations. iteration 832: trace = 2.485865205121152 (6.40833e-09% change) linmin: converged after 6 iterations. iteration 833: trace = 2.485865204919244 (8.12224e-09% change) linmin: converged after 4 iterations. iteration 834: trace = 2.485865204822296 (3.89996e-09% change) large trace change predicted (1.10201e-08%) linmin: converged after 4 iterations. iteration 835: trace = 2.485865204548347 (1.10203e-08% change) linmin: converged after 21 iterations. iteration 836: trace = 2.485865204420673 (5.13599e-09% change) linmin: converged after 4 iterations. iteration 837: trace = 2.485865204340051 (3.24321e-09% change) linmin: converged after 2 iterations. iteration 838: trace = 2.485865204217977 (4.91072e-09% change) linmin: converged after 6 iterations. iteration 839: trace = 2.485865204160011 (2.33184e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.485865204106606 (2.14834e-09% change) large trace change predicted (4.44891e-09%) linmin: converged after 4 iterations. iteration 841: trace = 2.48586520399601 (4.44898e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.48586520393299 (2.53514e-09% change) linmin: converged after 4 iterations. iteration 843: trace = 2.485865203811657 (4.88091e-09% change) linmin: converged after 5 iterations. iteration 844: trace = 2.485865203581461 (9.26023e-09% change) linmin: converged after 7 iterations. iteration 845: trace = 2.485865203501155 (3.23047e-09% change) large trace change predicted (6.7688e-09%) linmin: converged after 13 iterations. iteration 846: trace = 2.485865203332892 (6.76882e-09% change) linmin: converged after 5 iterations. iteration 847: trace = 2.485865203205521 (5.12381e-09% change) linmin: converged after 4 iterations. iteration 848: trace = 2.485865203142472 (2.53629e-09% change) large trace change predicted (7.77105e-09%) linmin: converged after 4 iterations. iteration 849: trace = 2.485865202949294 (7.77107e-09% change) linmin: converged after 28 iterations. iteration 850: trace = 2.485865202712795 (9.51376e-09% change) linmin: converged after 3 iterations. iteration 851: trace = 2.485865202620589 (3.7092e-09% change) large trace change predicted (8.76033e-09%) linmin: converged after 4 iterations. iteration 852: trace = 2.485865202402819 (8.7603e-09% change) linmin: converged after 4 iterations. iteration 853: trace = 2.485865202190548 (8.53914e-09% change) linmin: converged after 4 iterations. iteration 854: trace = 2.48586520212794 (2.51855e-09% change) large trace change predicted (8.23046e-09%) linmin: converged after 20 iterations. iteration 855: trace = 2.485865201923342 (8.23048e-09% change) linmin: converged after 4 iterations. iteration 856: trace = 2.48586520175846 (6.63276e-09% change) linmin: converged after 20 iterations. iteration 857: trace = 2.485865201647947 (4.44565e-09% change) linmin: converged after 4 iterations. iteration 858: trace = 2.485865201567537 (3.2347e-09% change) linmin: converged after 15 iterations. iteration 859: trace = 2.485865201453383 (4.59211e-09% change) linmin: converged after 2 iterations. iteration 860: trace = 2.485865201400177 (2.14037e-09% change) large trace change predicted (4.44307e-09%) linmin: converged after 5 iterations. iteration 861: trace = 2.48586520128973 (4.44299e-09% change) linmin: converged after 5 iterations. iteration 862: trace = 2.48586520112941 (6.44927e-09% change) linmin: converged after 11 iterations. iteration 863: trace = 2.485865201039028 (3.63583e-09% change) linmin: converged after 8 iterations. iteration 864: trace = 2.485865200966102 (2.93363e-09% change) linmin: converged after 10 iterations. iteration 865: trace = 2.485865200822665 (5.7701e-09% change) linmin: converged after 6 iterations. iteration 866: trace = 2.485865200763598 (2.3761e-09% change) linmin: converged after 11 iterations. iteration 867: trace = 2.485865200645614 (4.74621e-09% change) linmin: converged after 4 iterations. iteration 868: trace = 2.485865200474457 (6.88519e-09% change) linmin: converged after 3 iterations. iteration 869: trace = 2.485865200377606 (3.89608e-09% change) linmin: converged after 5 iterations. iteration 870: trace = 2.485865200333002 (1.7943e-09% change) large trace change predicted (5.86409e-09%) linmin: converged after 4 iterations. iteration 871: trace = 2.485865200187227 (5.86415e-09% change) linmin: converged after 9 iterations. iteration 872: trace = 2.485865200063451 (4.9792e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865200021272 (1.69674e-09% change) large trace change predicted (4.07202e-09%) linmin: converged after 2 iterations. iteration 874: trace = 2.485865199920053 (4.0718e-09% change) linmin: converged after 4 iterations. iteration 875: trace = 2.485865199820095 (4.02105e-09% change) linmin: converged after 16 iterations. iteration 876: trace = 2.485865199798149 (8.82831e-10% change) large trace change predicted (2.66956e-09%) linmin: converged after 9 iterations. iteration 877: trace = 2.485865199731785 (2.66965e-09% change) linmin: converged after 22 iterations. iteration 878: trace = 2.48586519966527 (2.67574e-09% change) linmin: converged after 2 iterations. iteration 879: trace = 2.485865199631431 (1.36126e-09% change) large trace change predicted (3.77225e-09%) linmin: converged after 16 iterations. iteration 880: trace = 2.485865199537657 (3.77227e-09% change) linmin: converged after 10 iterations. iteration 881: trace = 2.485865199468956 (2.76367e-09% change) linmin: converged after 4 iterations. iteration 882: trace = 2.485865199419318 (1.99683e-09% change) large trace change predicted (4.51813e-09%) linmin: converged after 17 iterations. iteration 883: trace = 2.485865199307003 (4.51815e-09% change) linmin: converged after 21 iterations. iteration 884: trace = 2.485865199266956 (1.61097e-09% change) linmin: converged after 4 iterations. iteration 885: trace = 2.485865199195353 (2.88041e-09% change) linmin: converged after 8 iterations. iteration 886: trace = 2.485865199119761 (3.04089e-09% change) linmin: converged after 11 iterations. iteration 887: trace = 2.485865198990513 (5.19932e-09% change) linmin: converged after 5 iterations. iteration 888: trace = 2.485865198921484 (2.77685e-09% change) linmin: converged after 12 iterations. iteration 889: trace = 2.485865198844434 (3.09952e-09% change) linmin: converged after 4 iterations. iteration 890: trace = 2.485865198755906 (3.56123e-09% change) linmin: converged after 4 iterations. iteration 891: trace = 2.485865198708098 (1.92319e-09% change) linmin: converged after 16 iterations. iteration 892: trace = 2.485865198641063 (2.69668e-09% change) linmin: converged after 5 iterations. iteration 893: trace = 2.48586519857022 (2.84983e-09% change) linmin: converged after 3 iterations. iteration 894: trace = 2.485865198557706 (5.03388e-10% change) large trace change predicted (1.80257e-09%) linmin: converged after 2 iterations. iteration 895: trace = 2.485865198512897 (1.80255e-09% change) linmin: converged after 2 iterations. iteration 896: trace = 2.48586519847941 (1.3471e-09% change) linmin: converged after 9 iterations. iteration 897: trace = 2.485865198467138 (4.93687e-10% change) large trace change predicted (1.56474e-09%) linmin: converged after 14 iterations. iteration 898: trace = 2.485865198428238 (1.56483e-09% change) linmin: converged after 3 iterations. iteration 899: trace = 2.485865198389398 (1.56245e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198373936 (6.21973e-10% change) large trace change predicted (2.06319e-09%) linmin: converged after 24 iterations. iteration 901: trace = 2.485865198322648 (2.06322e-09% change) linmin: converged after 4 iterations. iteration 902: trace = 2.485865198279923 (1.71871e-09% change) linmin: converged after 12 iterations. iteration 903: trace = 2.485865198240028 (1.60486e-09% change) linmin: converged after 9 iterations. iteration 904: trace = 2.485865198206175 (1.36183e-09% change) linmin: converged after 6 iterations. iteration 905: trace = 2.485865198139561 (2.67969e-09% change) linmin: converged after 16 iterations. iteration 906: trace = 2.485865198117786 (8.75954e-10% change) large trace change predicted (2.20742e-09%) linmin: converged after 5 iterations. iteration 907: trace = 2.48586519806291 (2.20753e-09% change) linmin: converged after 9 iterations. iteration 908: trace = 2.485865197981082 (3.29173e-09% change) linmin: converged after 7 iterations. iteration 909: trace = 2.485865197871886 (4.3927e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.485865197771949 (4.02019e-09% change) linmin: converged after 4 iterations. iteration 911: trace = 2.485865197703025 (2.77264e-09% change) linmin: converged after 5 iterations. iteration 912: trace = 2.485865197656878 (1.8564e-09% change) linmin: converged after 3 iterations. iteration 913: trace = 2.485865197637667 (7.72786e-10% change) large trace change predicted (2.07886e-09%) linmin: converged after 9 iterations. iteration 914: trace = 2.485865197585987 (2.07895e-09% change) linmin: converged after 10 iterations. iteration 915: trace = 2.485865197568558 (7.01131e-10% change) linmin: converged after 3 iterations. iteration 916: trace = 2.485865197537856 (1.23507e-09% change) linmin: converged after 7 iterations. iteration 917: trace = 2.485865197500661 (1.49627e-09% change) linmin: converged after 4 iterations. iteration 918: trace = 2.485865197487729 (5.20216e-10% change) large trace change predicted (1.59374e-09%) linmin: converged after 4 iterations. iteration 919: trace = 2.48586519744811 (1.59377e-09% change) linmin: converged after 5 iterations. iteration 920: trace = 2.48586519742295 (1.01214e-09% change) linmin: converged after 6 iterations. iteration 921: trace = 2.48586519741273 (4.11117e-10% change) large trace change predicted (1.1145e-09%) linmin: converged after 4 iterations. iteration 922: trace = 2.485865197385026 (1.11445e-09% change) linmin: converged after 2 iterations. iteration 923: trace = 2.485865197359936 (1.00929e-09% change) linmin: converged after 13 iterations. iteration 924: trace = 2.485865197352324 (3.06235e-10% change) large trace change predicted (1.33851e-09%) linmin: converged after 13 iterations. iteration 925: trace = 2.485865197319048 (1.33861e-09% change) linmin: converged after 3 iterations. iteration 926: trace = 2.485865197268344 (2.03967e-09% change) linmin: converged after 2 iterations. iteration 927: trace = 2.485865197234197 (1.37366e-09% change) linmin: converged after 4 iterations. iteration 928: trace = 2.485865197194057 (1.61473e-09% change) linmin: converged after 8 iterations. iteration 929: trace = 2.485865197140992 (2.13467e-09% change) linmin: converged after 5 iterations. iteration 930: trace = 2.485865197098175 (1.72243e-09% change) linmin: converged after 3 iterations. iteration 931: trace = 2.485865197059258 (1.56551e-09% change) linmin: converged after 8 iterations. iteration 932: trace = 2.485865196999251 (2.41393e-09% change) linmin: converged after 9 iterations. iteration 933: trace = 2.485865196985111 (5.68808e-10% change) large trace change predicted (1.3437e-09%) linmin: converged after 2 iterations. iteration 934: trace = 2.485865196951708 (1.34374e-09% change) linmin: converged after 3 iterations. iteration 935: trace = 2.485865196905175 (1.87189e-09% change) linmin: converged after 15 iterations. iteration 936: trace = 2.485865196869529 (1.43397e-09% change) linmin: converged after 3 iterations. iteration 937: trace = 2.485865196847354 (8.92032e-10% change) large trace change predicted (1.81501e-09%) linmin: converged after 15 iterations. iteration 938: trace = 2.485865196802237 (1.81495e-09% change) linmin: converged after 4 iterations. iteration 939: trace = 2.485865196777349 (1.00117e-09% change) linmin: converged after 6 iterations. iteration 940: trace = 2.485865196755066 (8.96391e-10% change) linmin: converged after 16 iterations. iteration 941: trace = 2.485865196714323 (1.63899e-09% change) linmin: converged after 4 iterations. iteration 942: trace = 2.485865196683929 (1.22267e-09% change) linmin: converged after 4 iterations. iteration 943: trace = 2.485865196672496 (4.59923e-10% change) large trace change predicted (1.40584e-09%) linmin: converged after 2 iterations. iteration 944: trace = 2.485865196637548 (1.40587e-09% change) linmin: converged after 5 iterations. iteration 945: trace = 2.485865196598717 (1.56206e-09% change) linmin: converged after 14 iterations. iteration 946: trace = 2.485865196583663 (6.05609e-10% change) large trace change predicted (1.98314e-09%) linmin: converged after 8 iterations. iteration 947: trace = 2.485865196534367 (1.98302e-09% change) linmin: converged after 5 iterations. iteration 948: trace = 2.485865196478876 (2.23229e-09% change) linmin: converged after 3 iterations. iteration 949: trace = 2.485865196464051 (5.96373e-10% change) linmin: converged after 10 iterations. iteration 950: trace = 2.485865196435043 (1.1669e-09% change) linmin: converged after 17 iterations. iteration 951: trace = 2.485865196388244 (1.88262e-09% change) linmin: converged after 4 iterations. iteration 952: trace = 2.485865196379794 (3.39909e-10% change) large trace change predicted (1.7374e-09%) linmin: converged after 2 iterations. iteration 953: trace = 2.485865196336605 (1.7374e-09% change) linmin: converged after 8 iterations. iteration 954: trace = 2.485865196293862 (1.71945e-09% change) linmin: converged after 21 iterations. iteration 955: trace = 2.485865196272933 (8.41886e-10% change) linmin: converged after 3 iterations. iteration 956: trace = 2.485865196254945 (7.2364e-10% change) large trace change predicted (1.5591e-09%) linmin: converged after 4 iterations. iteration 957: trace = 2.485865196216186 (1.55915e-09% change) linmin: converged after 4 iterations. iteration 958: trace = 2.485865196189859 (1.05907e-09% change) linmin: converged after 2 iterations. iteration 959: trace = 2.485865196176973 (5.18394e-10% change) large trace change predicted (1.07311e-09%) linmin: converged after 6 iterations. iteration 960: trace = 2.485865196150296 (1.07312e-09% change) linmin: converged after 4 iterations. iteration 961: trace = 2.48586519612308 (1.09485e-09% change) linmin: converged after 3 iterations. iteration 962: trace = 2.485865196110531 (5.04817e-10% change) large trace change predicted (1.3708e-09%) linmin: converged after 18 iterations. iteration 963: trace = 2.485865196076456 (1.37075e-09% change) linmin: converged after 5 iterations. iteration 964: trace = 2.485865196045085 (1.26199e-09% change) linmin: converged after 5 iterations. iteration 965: trace = 2.485865196021998 (9.28708e-10% change) linmin: converged after 6 iterations. iteration 966: trace = 2.485865195980672 (1.66246e-09% change) linmin: converged after 6 iterations. iteration 967: trace = 2.485865195942089 (1.55207e-09% change) linmin: converged after 4 iterations. iteration 968: trace = 2.485865195907237 (1.40201e-09% change) linmin: converged after 3 iterations. iteration 969: trace = 2.485865195886326 (8.41189e-10% change) linmin: converged after 2 iterations. iteration 970: trace = 2.48586519585126 (1.41062e-09% change) linmin: converged after 5 iterations. iteration 971: trace = 2.485865195841497 (3.92735e-10% change) linmin: converged after 4 iterations. iteration 972: trace = 2.485865195825903 (6.27297e-10% change) linmin: converged after 17 iterations. iteration 973: trace = 2.485865195797981 (1.12325e-09% change) linmin: converged after 3 iterations. iteration 974: trace = 2.485865195790261 (3.1054e-10% change) large trace change predicted (1.28856e-09%) linmin: converged after 14 iterations. iteration 975: trace = 2.485865195758229 (1.28857e-09% change) linmin: converged after 4 iterations. iteration 976: trace = 2.48586519574092 (6.96307e-10% change) linmin: converged after 7 iterations. iteration 977: trace = 2.485865195733882 (2.831e-10% change) linmin: converged after 6 iterations. iteration 978: trace = 2.485865195719898 (5.62555e-10% change) linmin: converged after 4 iterations. iteration 979: trace = 2.48586519569245 (1.10416e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 980: trace = 2.48586519567457 (7.19281e-10% change) linmin: converged after 4 iterations. iteration 981: trace = 2.485865195661257 (5.35562e-10% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195654117 (2.87191e-10% change) linmin: converged after 3 iterations. iteration 983: trace = 2.485865195644509 (3.86518e-10% change) large trace change predicted (1.11411e-09%) linmin: converged after 22 iterations. iteration 984: trace = 2.485865195616816 (1.11403e-09% change) linmin: converged after 7 iterations. iteration 985: trace = 2.485865195606861 (4.00452e-10% change) linmin: converged after 16 iterations. iteration 986: trace = 2.485865195591442 (6.20276e-10% change) linmin: converged after 11 iterations. iteration 987: trace = 2.485865195570512 (8.41939e-10% change) linmin: converged after 4 iterations. iteration 988: trace = 2.485865195566446 (1.63586e-10% change) large trace change predicted (1.01974e-09%) linmin: converged after 2 iterations. iteration 989: trace = 2.485865195541099 (1.01964e-09% change) linmin: converged after 3 iterations. iteration 990: trace = 2.485865195527086 (5.63717e-10% change) linmin: converged after 4 iterations. iteration 991: trace = 2.485865195517144 (3.99916e-10% change) large trace change predicted (1.44503e-09%) linmin: converged after 2 iterations. iteration 992: trace = 2.485865195481223 (1.44501e-09% change) linmin: converged after 4 iterations. iteration 993: trace = 2.485865195461762 (7.82879e-10% change) linmin: converged after 13 iterations. iteration 994: trace = 2.485865195448914 (5.16822e-10% change) linmin: converged after 4 iterations. iteration 995: trace = 2.485865195426673 (8.94729e-10% change) linmin: converged after 4 iterations. iteration 996: trace = 2.485865195401327 (1.0196e-09% change) linmin: converged after 2 iterations. iteration 997: trace = 2.485865195396438 (1.96653e-10% change) large trace change predicted (7.68475e-10%) linmin: converged after 5 iterations. iteration 998: trace = 2.485865195377332 (7.68588e-10% change) linmin: converged after 9 iterations. iteration 999: trace = 2.4858651953656 (4.71946e-10% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.485865195359322 (2.52534e-10% change) large trace change predicted (5.44226e-10%) linmin: converged after 3 iterations. iteration 1001: trace = 2.485865195345793 (5.44244e-10% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.485865195330321 (6.22402e-10% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.48586519532422 (2.45441e-10% change) large trace change predicted (6.60856e-10%) linmin: converged after 3 iterations. iteration 1004: trace = 2.485865195307793 (6.60828e-10% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.485865195290457 (6.97361e-10% change) linmin: converged after 11 iterations. iteration 1006: trace = 2.485865195277734 (5.11802e-10% change) linmin: converged after 12 iterations. iteration 1007: trace = 2.485865195271202 (2.6277e-10% change) linmin: converged after 19 iterations. iteration 1008: trace = 2.485865195259834 (4.57315e-10% change) linmin: converged after 10 iterations. iteration 1009: trace = 2.485865195244615 (6.12237e-10% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.485865195237999 (2.66129e-10% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.485865195228327 (3.8909e-10% change) large trace change predicted (8.73053e-10%) linmin: converged after 8 iterations. iteration 1012: trace = 2.485865195206623 (8.73077e-10% change) linmin: converged after 3 iterations. iteration 1013: trace = 2.485865195203225 (1.367e-10% change) large trace change predicted (6.83726e-10%) linmin: converged after 7 iterations. iteration 1014: trace = 2.485865195186228 (6.83749e-10% change) linmin: converged after 5 iterations. iteration 1015: trace = 2.485865195175365 (4.37003e-10% change) linmin: converged after 3 iterations. iteration 1016: trace = 2.485865195172214 (1.26749e-10% change) large trace change predicted (2.87153e-10%) linmin: converged after 2 iterations. iteration 1017: trace = 2.485865195165077 (2.87102e-10% change) linmin: converged after 15 iterations. iteration 1018: trace = 2.485865195155789 (3.73638e-10% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.485865195152577 (1.29197e-10% change) large trace change predicted (4.22503e-10%) linmin: converged after 11 iterations. iteration 1020: trace = 2.485865195142075 (4.22461e-10% change) linmin: converged after 5 iterations. iteration 1021: trace = 2.485865195131048 (4.43595e-10% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.48586519512706 (1.60424e-10% change) large trace change predicted (4.31747e-10%) linmin: converged after 8 iterations. iteration 1023: trace = 2.485865195116328 (4.31733e-10% change) linmin: converged after 8 iterations. iteration 1024: trace = 2.48586519510509 (4.52063e-10% change) linmin: converged after 2 iterations. iteration 1025: trace = 2.485865195095524 (3.84839e-10% change) linmin: converged after 2 iterations. iteration 1026: trace = 2.48586519509243 (1.24445e-10% change) large trace change predicted (4.34973e-10%) linmin: converged after 3 iterations. iteration 1027: trace = 2.485865195081618 (4.34949e-10% change) linmin: converged after 4 iterations. iteration 1028: trace = 2.485865195072298 (3.74924e-10% change) linmin: converged after 6 iterations. iteration 1029: trace = 2.485865195067195 (2.05264e-10% change) large trace change predicted (5.32312e-10%) linmin: converged after 7 iterations. iteration 1030: trace = 2.485865195053963 (5.32293e-10% change) linmin: converged after 3 iterations. iteration 1031: trace = 2.485865195048327 (2.26719e-10% change) linmin: converged after 6 iterations. iteration 1032: trace = 2.485865195040337 (3.21419e-10% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.485865195033821 (2.62145e-10% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.485865195030874 (1.18549e-10% change) large trace change predicted (2.39923e-10%) linmin: converged after 6 iterations. iteration 1035: trace = 2.48586519502491 (2.39885e-10% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.485865195019559 (2.15286e-10% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.485865195015673 (1.56297e-10% change) linmin: converged after 3 iterations. iteration 1038: trace = 2.485865195012303 (1.35592e-10% change) linmin: converged after 5 iterations. iteration 1039: trace = 2.485865195009071 (1.3e-10% change) large trace change predicted (2.8191e-10%) linmin: converged after 3 iterations. iteration 1040: trace = 2.485865195002065 (2.81832e-10% change) linmin: converged after 5 iterations. iteration 1041: trace = 2.48586519499896 (1.24909e-10% change) linmin: converged after 7 iterations. iteration 1042: trace = 2.48586519499436 (1.85059e-10% change) linmin: converged after 3 iterations. iteration 1043: trace = 2.485865194988176 (2.48746e-10% change) linmin: converged after 5 iterations. iteration 1044: trace = 2.485865194985385 (1.12279e-10% change) linmin: converged after 8 iterations. iteration 1045: trace = 2.485865194980406 (2.0028e-10% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.485865194974562 (2.35098e-10% change) linmin: converged after 7 iterations. iteration 1047: trace = 2.485865194972738 (7.34055e-11% change) Finished solving for bands 1 to 10 after 1047 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: 11.55051565170288 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860491594265 (2.69643% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953078686419 (0.531242% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889343850488 (0.347746% change) linmin: converged after 4 iterations. iteration 4: trace = 2.60035635063139 (0.0589358% change) large trace change predicted (0.133102%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948523365477 (0.131138% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596371733846124 (0.0222127% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542584243843 (0.03194% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152030176369 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847052586332 (0.0117525% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454092110799 (0.015145% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594325951405337 (0.00493915% change) large trace change predicted (0.0216469%) linmin: converged after 4 iterations. iteration 12: trace = 2.593776978920383 (0.0211627% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593511664168626 (0.0102294% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177522781822 (0.0128846% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759263882175 (0.0161305% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616172684251 (0.00551903% change) large trace change predicted (0.0234742%) linmin: converged after 18 iterations. iteration 17: trace = 2.59203072114637 (0.022584% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838524796351 (0.00741517% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510120134781 (0.0126715% change) linmin: converged after 6 iterations. iteration 20: trace = 2.591143215762604 (0.0141589% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058109298241 (0.00328457% change) large trace change predicted (0.0106643%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787203494022 (0.010456% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590681939089496 (0.00406311% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536441297639 (0.00561635% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590315824137861 (0.00851664% change) linmin: converged after 5 iterations. iteration 26: trace = 2.590262490195241 (0.002059% change) large trace change predicted (0.00488934%) linmin: converged after 4 iterations. iteration 27: trace = 2.590135841495098 (0.00488954% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590063870109134 (0.00277871% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589966772780443 (0.00374891% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589846756903627 (0.00463398% change) linmin: converged after 3 iterations. iteration 31: trace = 2.58977952465413 (0.00259603% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589655971557978 (0.00477091% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592051955635 (0.0024683% change) large trace change predicted (0.00587335%) linmin: converged after 3 iterations. iteration 34: trace = 2.58943853312251 (0.00592848% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299219314782 (0.00538022% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151423872286 (0.0057081% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877187794218 (0.0105923% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758737781993 (0.00457545% change) large trace change predicted (0.0103821%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487071010921 (0.0104946% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238426914363 (0.00960623% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129291258746 (0.00421669% change) large trace change predicted (0.00966107%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877726766827 (0.00972041% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755056142157 (0.00474031% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559726703876 (0.0075485% change) linmin: converged after 4 iterations. iteration 45: trace = 2.587201379943639 (0.0138498% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078586094025 (0.00474632% change) large trace change predicted (0.0134469%) linmin: converged after 7 iterations. iteration 47: trace = 2.58673073048692 (0.0134468% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416606760146 (0.0121444% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172471711083 (0.00943957% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801778847602 (0.0143347% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704415996192 (0.00376536% change) large trace change predicted (0.00796147%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499602648881 (0.0079213% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585308932529833 (0.00737487% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225472752017 (0.00322828% change) large trace change predicted (0.0085801%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005192502009 (0.0085211% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916268436134 (0.00344005% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584747917433845 (0.00651303% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504099897035 (0.00943338% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418517021277 (0.00331144% change) large trace change predicted (0.00842726%) linmin: converged after 3 iterations. iteration 60: trace = 2.58420165331832 (0.00839155% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584098983079516 (0.00397308% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934200184359 (0.00637701% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583708992056889 (0.00871609% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615145009898 (0.00363233% change) large trace change predicted (0.00904897%) linmin: converged after 4 iterations. iteration 65: trace = 2.583382911121683 (0.00898912% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261756766837 (0.00468987% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112427172047 (0.00578083% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958341936617 (0.00596528% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869777618501 (0.00342885% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791153471182 (0.00304411% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689619726008 (0.00393124% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487206878012 (0.0078376% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430320572761 (0.0022028% change) large trace change predicted (0.00655119%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260744424045 (0.00656675% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142839987651 (0.00456604% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582088993283198 (0.00208537% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989319481823 (0.00386027% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949318887535 (0.00154923% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896352368724 (0.00205144% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814528434897 (0.00316919% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795020525479 (0.000755592% change) large trace change predicted (0.00246252%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731275579672 (0.00246905% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679762993473 (0.00199529% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660328268514 (0.000752797% change) large trace change predicted (0.00226878%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601621560935 (0.00227402% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512325111753 (0.00345902% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471143573396 (0.00159526% change) large trace change predicted (0.00460153%) linmin: converged after 3 iterations. iteration 88: trace = 2.58135205350563 (0.00461337% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296805180965 (0.00214031% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194521761723 (0.00396256% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064367008901 (0.00504255% change) linmin: converged after 4 iterations. iteration 92: trace = 2.581038626974637 (0.000997269% change) large trace change predicted (0.00403911%) linmin: converged after 4 iterations. iteration 93: trace = 2.580934505590659 (0.00403417% change) linmin: converged after 3 iterations. iteration 94: trace = 2.580892407855933 (0.00163112% change) linmin: converged after 3 iterations. iteration 95: trace = 2.580844644845262 (0.00185066% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750108081233 (0.00366308% change) linmin: converged after 3 iterations. iteration 97: trace = 2.58071780080335 (0.00125186% change) large trace change predicted (0.00303927%) linmin: converged after 4 iterations. iteration 98: trace = 2.580639545363962 (0.00303236% change) linmin: converged after 3 iterations. iteration 99: trace = 2.580586834470896 (0.00204257% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568586710914 (0.000707119% change) large trace change predicted (0.00145521%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531103032111 (0.00145255% change) linmin: converged after 4 iterations. iteration 102: trace = 2.580515752580713 (0.000594858% change) linmin: converged after 10 iterations. iteration 103: trace = 2.58049954041274 (0.000628255% change) linmin: converged after 4 iterations. iteration 104: trace = 2.580473775590258 (0.000998448% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580462967427283 (0.000418845% change) large trace change predicted (0.00115844%) linmin: converged after 5 iterations. iteration 106: trace = 2.580433115224676 (0.00115686% change) linmin: converged after 4 iterations. iteration 107: trace = 2.58040478261552 (0.00109798% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391164618272 (0.000527748% change) large trace change predicted (0.00162419%) linmin: converged after 4 iterations. iteration 109: trace = 2.580349325144411 (0.00162145% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298905903146 (0.00195399% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288494021906 (0.000403515% change) large trace change predicted (0.00143961%) linmin: converged after 6 iterations. iteration 112: trace = 2.580251388378102 (0.00143805% change) linmin: converged after 3 iterations. iteration 113: trace = 2.5802369966685 (0.000557765% change) linmin: converged after 5 iterations. iteration 114: trace = 2.580210047980699 (0.00104443% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157603877117 (0.00203257% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144676138797 (0.000501046% change) large trace change predicted (0.0023014%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085236876817 (0.00230374% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043043467533 (0.00163536% change) linmin: converged after 3 iterations. iteration 119: trace = 2.58002611530408 (0.000656122% change) large trace change predicted (0.00241466%) linmin: converged after 3 iterations. iteration 120: trace = 2.57996372265905 (0.00241832% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916416899732 (0.0018336% change) linmin: converged after 4 iterations. iteration 122: trace = 2.579903962597389 (0.000482742% change) large trace change predicted (0.00145083%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866490003232 (0.00145249% change) linmin: converged after 5 iterations. iteration 124: trace = 2.579847703470617 (0.000728201% change) linmin: converged after 3 iterations. iteration 125: trace = 2.57981624161641 (0.00121953% change) linmin: converged after 4 iterations. iteration 126: trace = 2.57977446883919 (0.00161923% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579757553221207 (0.000655704% change) large trace change predicted (0.00194333%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707425002821 (0.00194316% change) linmin: converged after 3 iterations. iteration 129: trace = 2.579657447503685 (0.00193735% change) linmin: converged after 4 iterations. iteration 130: trace = 2.57963813627597 (0.000748599% change) large trace change predicted (0.00176047%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592803274141 (0.00175736% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579573950000242 (0.000730865% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579567967098322 (0.000231934% change) large trace change predicted (0.00171924%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523590284037 (0.00172033% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579511730796998 (0.000459756% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493149084883 (0.00072036% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467195659844 (0.00100615% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459152702047 (0.000311807% change) large trace change predicted (0.00114474%) linmin: converged after 3 iterations. iteration 139: trace = 2.579429640716076 (0.00114412% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579414811683991 (0.000574897% change) linmin: converged after 5 iterations. iteration 141: trace = 2.579408992373188 (0.000225606% change) large trace change predicted (0.000493784%) linmin: converged after 5 iterations. iteration 142: trace = 2.579396260068354 (0.000493614% change) linmin: converged after 6 iterations. iteration 143: trace = 2.579386026927231 (0.000396727% change) linmin: converged after 4 iterations. iteration 144: trace = 2.579378415454128 (0.000295089% change) large trace change predicted (0.000757258%) linmin: converged after 5 iterations. iteration 145: trace = 2.579358918181155 (0.000755893% change) linmin: converged after 3 iterations. iteration 146: trace = 2.57935409807174 (0.000186873% change) large trace change predicted (0.000493351%) linmin: converged after 8 iterations. iteration 147: trace = 2.579341382160953 (0.000492989% change) linmin: converged after 4 iterations. iteration 148: trace = 2.579328296822369 (0.000507314% change) linmin: converged after 7 iterations. iteration 149: trace = 2.579321552477491 (0.000261477% change) large trace change predicted (0.000611764%) linmin: converged after 5 iterations. iteration 150: trace = 2.579305773776489 (0.00061174% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579296546902956 (0.000357728% change) linmin: converged after 3 iterations. iteration 152: trace = 2.57928154304934 (0.000581705% change) linmin: converged after 5 iterations. iteration 153: trace = 2.579262495207623 (0.000738497% change) linmin: converged after 3 iterations. iteration 154: trace = 2.579254226756494 (0.000320575% change) linmin: converged after 13 iterations. iteration 155: trace = 2.579244691746158 (0.000369682% change) linmin: converged after 4 iterations. iteration 156: trace = 2.57922810872216 (0.000642943% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579224759544657 (0.000129852% change) large trace change predicted (0.000560067%) linmin: converged after 3 iterations. iteration 158: trace = 2.579210321210387 (0.000559795% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579199892452418 (0.00040434% change) linmin: converged after 15 iterations. iteration 160: trace = 2.579194126540484 (0.000223555% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183127081934 (0.00042647% change) linmin: converged after 4 iterations. iteration 162: trace = 2.57917527376839 (0.000304489% change) linmin: converged after 3 iterations. iteration 163: trace = 2.579166531218723 (0.000338967% change) linmin: converged after 5 iterations. iteration 164: trace = 2.579150725980757 (0.000612806% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579146851113828 (0.000150238% change) linmin: converged after 4 iterations. iteration 166: trace = 2.579139711767776 (0.000276811% change) linmin: converged after 8 iterations. iteration 167: trace = 2.579131592983083 (0.000314787% change) linmin: converged after 4 iterations. iteration 168: trace = 2.579130123577139 (5.69729e-05% change) large trace change predicted (0.000310705%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122106924064 (0.000310828% change) linmin: converged after 3 iterations. iteration 170: trace = 2.57911737987499 (0.000183281% change) linmin: converged after 3 iterations. iteration 171: trace = 2.579114417992026 (0.000114841% change) linmin: converged after 4 iterations. iteration 172: trace = 2.579109022185899 (0.000209212% change) linmin: converged after 4 iterations. iteration 173: trace = 2.579105920551108 (0.00012026% change) linmin: converged after 3 iterations. iteration 174: trace = 2.579102828599833 (0.000119885% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579097497592924 (0.0002067% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096164705741 (5.16804e-05% change) large trace change predicted (0.000214416%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090630109007 (0.000214595% change) linmin: converged after 3 iterations. iteration 178: trace = 2.579086459595585 (0.000161705% change) linmin: converged after 3 iterations. iteration 179: trace = 2.579084924691221 (5.95135e-05% change) large trace change predicted (0.000229151%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079012356067 (0.000229242% change) linmin: converged after 3 iterations. iteration 181: trace = 2.579074495315269 (0.000175142% change) linmin: converged after 4 iterations. iteration 182: trace = 2.579070706901623 (0.000146891% change) large trace change predicted (0.000329919%) linmin: converged after 5 iterations. iteration 183: trace = 2.579062198427521 (0.000329905% change) linmin: converged after 3 iterations. iteration 184: trace = 2.579059613229982 (0.000100238% change) large trace change predicted (0.000236335%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053516440526 (0.000236396% change) linmin: converged after 3 iterations. iteration 186: trace = 2.579044125073096 (0.000364141% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042278931558 (7.15824e-05% change) large trace change predicted (0.000296502%) linmin: converged after 5 iterations. iteration 188: trace = 2.579034635101455 (0.000296383% change) linmin: converged after 3 iterations. iteration 189: trace = 2.57903094860527 (0.000142941% change) linmin: converged after 3 iterations. iteration 190: trace = 2.579028583010977 (9.17242e-05% change) large trace change predicted (0.000233113%) linmin: converged after 5 iterations. iteration 191: trace = 2.579022575043497 (0.000232955% change) linmin: converged after 3 iterations. iteration 192: trace = 2.579019878572046 (0.000104554% change) linmin: converged after 4 iterations. iteration 193: trace = 2.579016343934813 (0.000137054% change) linmin: converged after 5 iterations. iteration 194: trace = 2.579010703288303 (0.000218713% change) linmin: converged after 5 iterations. iteration 195: trace = 2.579009254374781 (5.6181e-05% change) large trace change predicted (0.000153944%) linmin: converged after 3 iterations. iteration 196: trace = 2.579005286682415 (0.000153846% change) linmin: converged after 5 iterations. iteration 197: trace = 2.579001781856609 (0.000135898% change) linmin: converged after 16 iterations. iteration 198: trace = 2.579000212624933 (6.08465e-05% change) large trace change predicted (0.000145599%) linmin: converged after 4 iterations. iteration 199: trace = 2.578996460200213 (0.000145499% change) linmin: converged after 4 iterations. iteration 200: trace = 2.578993578939295 (0.00011172% change) linmin: converged after 3 iterations. iteration 201: trace = 2.578991757664136 (7.06196e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.578988686725544 (0.000119075% change) linmin: converged after 3 iterations. iteration 203: trace = 2.578987243325815 (5.59677e-05% change) large trace change predicted (0.00011707%) linmin: converged after 7 iterations. iteration 204: trace = 2.5789842251461 (0.00011703% change) linmin: converged after 4 iterations. iteration 205: trace = 2.578979785044593 (0.000172165% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978693864793 (4.23105e-05% change) large trace change predicted (0.000158112%) linmin: converged after 3 iterations. iteration 207: trace = 2.578974615306652 (0.000158146% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578972346498632 (8.79733e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970545081922 (6.98502e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578969023329218 (5.90062e-05% change) linmin: converged after 4 iterations. iteration 211: trace = 2.578967678047641 (5.21636e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965515670414 (8.38467e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964912790532 (2.33768e-05% change) large trace change predicted (8.81817e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.578962637434119 (8.82275e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.578960958338661 (6.51074e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959975491439 (3.81102e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.578958036832882 (7.51721e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.57895685176904 (4.59513e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955011083035 (7.13733e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.578953163940987 (7.16237e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 2.578952669576907 (1.91692e-05% change) large trace change predicted (5.66806e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.578951207503283 (5.66926e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949572859293 (6.33841e-05% change) linmin: converged after 5 iterations. iteration 224: trace = 2.578949025332277 (2.12306e-05% change) large trace change predicted (7.80301e-05%) linmin: converged after 3 iterations. iteration 225: trace = 2.578947012486347 (7.80491e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.578944768006576 (8.70309e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.578944122953709 (2.50123e-05% change) large trace change predicted (0.000104842%) linmin: converged after 5 iterations. iteration 228: trace = 2.578941418175953 (0.000104879% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578939953268569 (5.68027e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938658916424 (5.01893e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936258142764 (9.30916e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935684305744 (2.22509e-05% change) large trace change predicted (8.33719e-05%) linmin: converged after 7 iterations. iteration 233: trace = 2.57893353418565 (8.33724e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932086694486 (5.61275e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.578931476084768 (2.36768e-05% change) large trace change predicted (6.65169e-05%) linmin: converged after 5 iterations. iteration 236: trace = 2.578929760877211 (6.65085e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.578927695385584 (8.00911e-05% change) linmin: converged after 2 iterations. iteration 238: trace = 2.57892732568409 (1.43355e-05% change) large trace change predicted (7.7696e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925323195059 (7.76482e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.578924390837193 (3.6153e-05% change) linmin: converged after 7 iterations. iteration 241: trace = 2.578923835836198 (2.15206e-05% change) large trace change predicted (4.9614e-05%) linmin: converged after 4 iterations. iteration 242: trace = 2.57892255686543 (4.95932e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922263590947 (1.1372e-05% change) large trace change predicted (3.1791e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.57892144388599 (3.17848e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.57892060711098 (3.24467e-05% change) linmin: converged after 2 iterations. iteration 246: trace = 2.578920361562806 (9.52135e-06% change) large trace change predicted (3.28848e-05%) linmin: converged after 4 iterations. iteration 247: trace = 2.578919513622123 (3.28797e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.578918520073827 (3.85258e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.578918133937086 (1.49728e-05% change) large trace change predicted (5.1237e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.578916812691756 (5.12326e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578916009356801 (3.11501e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.578915599633965 (1.58874e-05% change) large trace change predicted (3.39978e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.578914722787129 (3.40006e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.578913599852361 (4.35429e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.57891325176211 (1.34976e-05% change) large trace change predicted (5.37249e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911865891401 (5.37386e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911428120376 (1.6975e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.57891061689249 (3.14562e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909277608117 (5.19322e-05% change) linmin: converged after 2 iterations. iteration 260: trace = 2.578908975533188 (1.17133e-05% change) large trace change predicted (6.25562e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.578907362157175 (6.25604e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906770142818 (2.2956e-05% change) linmin: converged after 5 iterations. iteration 263: trace = 2.578905987673004 (3.03411e-05% change) linmin: converged after 3 iterations. iteration 264: trace = 2.578904999056745 (3.83347e-05% change) linmin: converged after 5 iterations. iteration 265: trace = 2.578904317046519 (2.64457e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903871389604 (1.72809e-05% change) large trace change predicted (4.51919e-05%) linmin: converged after 3 iterations. iteration 267: trace = 2.578902706188833 (4.5182e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.578902138186075 (2.2025e-05% change) linmin: converged after 10 iterations. iteration 269: trace = 2.578901706227417 (1.67497e-05% change) large trace change predicted (3.3972e-05%) linmin: converged after 5 iterations. iteration 270: trace = 2.578900830195175 (3.39692e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.578900577737291 (9.78936e-06% change) large trace change predicted (2.19467e-05%) linmin: converged after 4 iterations. iteration 272: trace = 2.578900011755171 (2.19466e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.578899292817441 (2.78777e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.57889911593379 (6.85888e-06% change) large trace change predicted (2.61537e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898441442306 (2.61542e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.578898069793316 (1.44112e-05% change) linmin: converged after 2 iterations. iteration 277: trace = 2.578897833509514 (9.1622e-06% change) large trace change predicted (2.26338e-05%) linmin: converged after 5 iterations. iteration 278: trace = 2.578897249762689 (2.26355e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.578896386616146 (3.34696e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.578895773460513 (2.37759e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578895388114031 (1.49423e-05% change) linmin: converged after 23 iterations. iteration 282: trace = 2.578895236473687 (5.88005e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578894991209064 (9.51045e-06% change) linmin: converged after 4 iterations. iteration 284: trace = 2.578894563325656 (1.65917e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.578894469656628 (3.63214e-06% change) large trace change predicted (1.70103e-05%) linmin: converged after 4 iterations. iteration 286: trace = 2.578894031052335 (1.70075e-05% change) linmin: converged after 4 iterations. iteration 287: trace = 2.578893678567294 (1.36681e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.578893554886377 (4.79589e-06% change) large trace change predicted (1.51553e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893164121508 (1.51524e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.578893015365514 (5.76821e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578892719111664 (1.14876e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578892291558669 (1.65789e-05% change) linmin: converged after 2 iterations. iteration 293: trace = 2.578892173097193 (4.5935e-06% change) large trace change predicted (1.31186e-05%) linmin: converged after 3 iterations. iteration 294: trace = 2.578891834820501 (1.31171e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891417916124 (1.6166e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.578891273849978 (5.58636e-06% change) large trace change predicted (1.53471e-05%) linmin: converged after 8 iterations. iteration 297: trace = 2.578890878132708 (1.53445e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.578890431041247 (1.73366e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.578890308164291 (4.76472e-06% change) large trace change predicted (1.32699e-05%) linmin: converged after 5 iterations. iteration 300: trace = 2.578889965975878 (1.32688e-05% change) linmin: converged after 4 iterations. iteration 301: trace = 2.57888977071616 (7.57146e-06% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889600144229 (6.61416e-06% change) large trace change predicted (1.35521e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.578889250705691 (1.355e-05% change) linmin: converged after 5 iterations. iteration 304: trace = 2.578889071689677 (6.94159e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.578888960479315 (4.31234e-06% change) large trace change predicted (8.96648e-06%) linmin: converged after 3 iterations. iteration 306: trace = 2.578888729268628 (8.96552e-06% change) linmin: converged after 2 iterations. iteration 307: trace = 2.578888634169436 (3.6876e-06% change) large trace change predicted (7.75814e-06%) linmin: converged after 4 iterations. iteration 308: trace = 2.578888434100052 (7.75797e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.578888194630846 (9.28575e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888094298005 (3.89055e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.578887958381567 (5.27035e-06% change) linmin: converged after 7 iterations. iteration 312: trace = 2.578887804885872 (5.95201e-06% change) linmin: converged after 19 iterations. iteration 313: trace = 2.578887761808171 (1.6704e-06% change) large trace change predicted (5.67222e-06%) linmin: converged after 3 iterations. iteration 314: trace = 2.578887615521186 (5.67248e-06% change) linmin: converged after 3 iterations. iteration 315: trace = 2.578887485991125 (5.02271e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.57888743394849 (2.01803e-06% change) large trace change predicted (6.82858e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578887257829901 (6.82925e-06% change) linmin: converged after 2 iterations. iteration 318: trace = 2.578887122808008 (5.23566e-06% change) linmin: converged after 2 iterations. iteration 319: trace = 2.578887040604236 (3.18757e-06% change) large trace change predicted (9.40205e-06%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886798114954 (9.40287e-06% change) linmin: converged after 2 iterations. iteration 321: trace = 2.578886671098853 (4.92523e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.578886553230791 (4.5705e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.578886412250653 (5.46671e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.578886349779721 (2.4224e-06% change) large trace change predicted (6.30896e-06%) linmin: converged after 4 iterations. iteration 325: trace = 2.578886187084404 (6.30874e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578885996490093 (7.39057e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578885952732404 (1.69677e-06% change) large trace change predicted (6.67569e-06%) linmin: converged after 3 iterations. iteration 328: trace = 2.57888578058772 (6.67516e-06% change) linmin: converged after 5 iterations. iteration 329: trace = 2.578885674134037 (4.12789e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.578885609297216 (2.51414e-06% change) large trace change predicted (6.95701e-06%) linmin: converged after 5 iterations. iteration 331: trace = 2.578885429911557 (6.95594e-06% change) linmin: converged after 7 iterations. iteration 332: trace = 2.578885327402481 (3.97494e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.578885242938726 (3.2752e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.57888511520103 (4.95321e-06% change) linmin: converged after 5 iterations. iteration 335: trace = 2.578885027126808 (3.41521e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.578884998832368 (1.09716e-06% change) large trace change predicted (3.09021e-06%) linmin: converged after 3 iterations. iteration 337: trace = 2.578884919146583 (3.08993e-06% change) linmin: converged after 4 iterations. iteration 338: trace = 2.578884849711589 (2.69244e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.578884810383019 (1.52502e-06% change) large trace change predicted (4.24268e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.578884700981663 (4.2422e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.578884675262583 (9.97295e-07% change) large trace change predicted (3.25164e-06%) linmin: converged after 4 iterations. iteration 342: trace = 2.578884591411476 (3.25145e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.578884499764269 (3.55375e-06% change) linmin: converged after 2 iterations. iteration 344: trace = 2.578884474370989 (9.84661e-07% change) large trace change predicted (3.92937e-06%) linmin: converged after 4 iterations. iteration 345: trace = 2.578884373038036 (3.92933e-06% change) linmin: converged after 2 iterations. iteration 346: trace = 2.578884331775818 (1.6e-06% change) linmin: converged after 2 iterations. iteration 347: trace = 2.578884278732782 (2.05682e-06% change) linmin: converged after 2 iterations. iteration 348: trace = 2.578884204056982 (2.89566e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.578884088429297 (4.48363e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.578884001705908 (3.36283e-06% change) linmin: converged after 4 iterations. iteration 351: trace = 2.578883947277289 (2.11055e-06% change) linmin: converged after 3 iterations. iteration 352: trace = 2.578883915488024 (1.23268e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.578883877916353 (1.4569e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578883818178057 (2.31644e-06% change) linmin: converged after 2 iterations. iteration 355: trace = 2.578883803082288 (5.85361e-07% change) large trace change predicted (2.34194e-06%) linmin: converged after 4 iterations. iteration 356: trace = 2.578883742682763 (2.34208e-06% change) linmin: converged after 3 iterations. iteration 357: trace = 2.578883692320193 (1.95288e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.578883675233087 (6.62578e-07% change) large trace change predicted (2.01519e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.57888362325983 (2.01534e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883594440069 (1.11753e-06% change) linmin: converged after 4 iterations. iteration 361: trace = 2.578883573619128 (8.07363e-07% change) large trace change predicted (1.776e-06%) linmin: converged after 2 iterations. iteration 362: trace = 2.578883527815569 (1.7761e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.57888351458963 (5.12855e-07% change) large trace change predicted (1.5089e-06%) linmin: converged after 9 iterations. iteration 364: trace = 2.578883475675516 (1.50895e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.578883421776667 (2.09001e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.578883407214541 (5.64668e-07% change) large trace change predicted (2.75524e-06%) linmin: converged after 3 iterations. iteration 367: trace = 2.578883336154678 (2.75545e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.578883278203476 (2.24714e-06% change) linmin: converged after 4 iterations. iteration 369: trace = 2.57888324987202 (1.09859e-06% change) linmin: converged after 2 iterations. iteration 370: trace = 2.57888319793914 (2.01377e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578883157370783 (1.5731e-06% change) linmin: converged after 3 iterations. iteration 372: trace = 2.578883122120951 (1.36686e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.578883057290223 (2.51391e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.5788830216629 (1.3815e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.57888300331445 (7.11488e-07% change) large trace change predicted (1.74207e-06%) linmin: converged after 6 iterations. iteration 376: trace = 2.578882958390225 (1.742e-06% change) linmin: converged after 2 iterations. iteration 377: trace = 2.578882921571234 (1.42771e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.578882894302669 (1.05738e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.57888284447464 (1.93216e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.578882815176625 (1.13607e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.578882801185157 (5.4254e-07% change) large trace change predicted (1.47875e-06%) linmin: converged after 3 iterations. iteration 382: trace = 2.578882763052461 (1.47865e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.578882749596747 (5.21765e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.578882730335058 (7.46901e-07% change) linmin: converged after 4 iterations. iteration 385: trace = 2.578882700491799 (1.15722e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.578882690263834 (3.96605e-07% change) large trace change predicted (8.45157e-07%) linmin: converged after 4 iterations. iteration 387: trace = 2.578882668469009 (8.45127e-07% change) linmin: converged after 18 iterations. iteration 388: trace = 2.57888264007774 (1.10091e-06% change) linmin: converged after 13 iterations. iteration 389: trace = 2.578882630383953 (3.75891e-07% change) large trace change predicted (1.39764e-06%) linmin: converged after 9 iterations. iteration 390: trace = 2.578882594340744 (1.39763e-06% change) linmin: converged after 6 iterations. iteration 391: trace = 2.578882568017883 (1.02071e-06% change) linmin: converged after 4 iterations. iteration 392: trace = 2.578882553221773 (5.73741e-07% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882527549733 (9.95471e-07% change) linmin: converged after 16 iterations. iteration 394: trace = 2.578882510945477 (6.43855e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882490951085 (7.75312e-07% change) linmin: converged after 2 iterations. iteration 396: trace = 2.578882456732195 (1.32689e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.57888245041564 (2.44934e-07% change) large trace change predicted (1.00676e-06%) linmin: converged after 10 iterations. iteration 398: trace = 2.578882424452209 (1.00677e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882392358561 (1.24448e-06% change) linmin: converged after 20 iterations. iteration 400: trace = 2.578882379492596 (4.98897e-07% change) large trace change predicted (1.31188e-06%) linmin: converged after 2 iterations. iteration 401: trace = 2.578882345659828 (1.31192e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.578882316521735 (1.12987e-06% change) linmin: converged after 13 iterations. iteration 403: trace = 2.57888230805673 (3.28243e-07% change) large trace change predicted (1.03727e-06%) linmin: converged after 2 iterations. iteration 404: trace = 2.578882281306031 (1.0373e-06% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882260424658 (8.09706e-07% change) linmin: converged after 14 iterations. iteration 406: trace = 2.578882248149896 (4.75972e-07% change) linmin: converged after 4 iterations. iteration 407: trace = 2.57888223141451 (6.4894e-07% change) linmin: converged after 3 iterations. iteration 408: trace = 2.578882211029887 (7.90444e-07% change) linmin: converged after 13 iterations. iteration 409: trace = 2.578882205629338 (2.09414e-07% change) large trace change predicted (8.31332e-07%) linmin: converged after 3 iterations. iteration 410: trace = 2.578882184190528 (8.31322e-07% change) linmin: converged after 4 iterations. iteration 411: trace = 2.578882171844465 (4.78737e-07% change) linmin: converged after 3 iterations. iteration 412: trace = 2.578882163834914 (3.10582e-07% change) large trace change predicted (8.89323e-07%) linmin: converged after 21 iterations. iteration 413: trace = 2.578882140900644 (8.8931e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.578882134094078 (2.63935e-07% change) large trace change predicted (5.50449e-07%) linmin: converged after 12 iterations. iteration 415: trace = 2.578882119898719 (5.50446e-07% change) linmin: converged after 6 iterations. iteration 416: trace = 2.578882107832774 (4.67875e-07% change) linmin: converged after 2 iterations. iteration 417: trace = 2.578882102400972 (2.10626e-07% change) linmin: converged after 34 iterations. iteration 418: trace = 2.578882091996141 (4.03463e-07% change) large trace change predicted (2.59104e-06%) linmin: converged after 3 iterations. iteration 419: trace = 2.578882025179796 (2.5909e-06% change) resetting CG direction... linmin: converged after 9 iterations. iteration 420: trace = 2.578882005832225 (7.50231e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.578881986466282 (7.50943e-07% change) linmin: converged after 4 iterations. iteration 422: trace = 2.578881981711645 (1.84368e-07% change) linmin: converged after 4 iterations. iteration 423: trace = 2.578881973530501 (3.17236e-07% change) linmin: converged after 4 iterations. iteration 424: trace = 2.57888196469893 (3.42457e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.578881962558662 (8.29921e-08% change) large trace change predicted (3.55841e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578881953382085 (3.55835e-07% change) linmin: converged after 19 iterations. iteration 427: trace = 2.578881947857087 (2.1424e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.578881945589143 (8.79429e-08% change) large trace change predicted (3.09707e-07%) linmin: converged after 5 iterations. iteration 429: trace = 2.578881937602312 (3.09701e-07% change) linmin: converged after 5 iterations. iteration 430: trace = 2.578881932854013 (1.84122e-07% change) linmin: converged after 2 iterations. iteration 431: trace = 2.578881925606409 (2.81037e-07% change) linmin: converged after 8 iterations. iteration 432: trace = 2.578881912510754 (5.07804e-07% change) linmin: converged after 10 iterations. iteration 433: trace = 2.578881909846719 (1.03302e-07% change) large trace change predicted (4.0186e-07%) linmin: converged after 2 iterations. iteration 434: trace = 2.578881899483109 (4.01864e-07% change) linmin: converged after 4 iterations. iteration 435: trace = 2.578881894532436 (1.9197e-07% change) linmin: converged after 25 iterations. iteration 436: trace = 2.57888189203726 (9.67541e-08% change) large trace change predicted (3.61076e-07%) linmin: converged after 16 iterations. iteration 437: trace = 2.57888188272561 (3.61073e-07% change) linmin: converged after 2 iterations. iteration 438: trace = 2.57888187375251 (3.47945e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881867950659 (2.24975e-07% change) linmin: converged after 2 iterations. iteration 440: trace = 2.578881857774327 (3.94603e-07% change) linmin: converged after 2 iterations. iteration 441: trace = 2.578881852409726 (2.0802e-07% change) linmin: converged after 2 iterations. iteration 442: trace = 2.578881850390641 (7.8293e-08% change) large trace change predicted (3.05137e-07%) linmin: converged after 3 iterations. iteration 443: trace = 2.57888184252163 (3.05133e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881836631404 (2.28402e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.578881834378428 (8.73625e-08% change) large trace change predicted (2.07149e-07%) linmin: converged after 4 iterations. iteration 446: trace = 2.578881829036319 (2.07148e-07% change) linmin: converged after 4 iterations. iteration 447: trace = 2.578881826213355 (1.09465e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881823332689 (1.11702e-07% change) linmin: converged after 10 iterations. iteration 449: trace = 2.578881818594001 (1.8375e-07% change) linmin: converged after 21 iterations. iteration 450: trace = 2.578881813207874 (2.08855e-07% change) linmin: converged after 9 iterations. iteration 451: trace = 2.578881811423269 (6.92007e-08% change) large trace change predicted (1.91683e-07%) linmin: converged after 2 iterations. iteration 452: trace = 2.578881806479936 (1.91685e-07% change) linmin: converged after 7 iterations. iteration 453: trace = 2.578881802541142 (1.52733e-07% change) linmin: converged after 4 iterations. iteration 454: trace = 2.578881801180286 (5.27692e-08% change) large trace change predicted (1.43589e-07%) linmin: converged after 4 iterations. iteration 455: trace = 2.578881797477261 (1.4359e-07% change) linmin: converged after 6 iterations. iteration 456: trace = 2.578881794092461 (1.31251e-07% change) linmin: converged after 4 iterations. iteration 457: trace = 2.578881791680115 (9.35423e-08% change) linmin: converged after 19 iterations. iteration 458: trace = 2.578881788075575 (1.39771e-07% change) linmin: converged after 7 iterations. iteration 459: trace = 2.578881785694791 (9.23184e-08% change) linmin: converged after 2 iterations. iteration 460: trace = 2.578881782460606 (1.2541e-07% change) linmin: converged after 7 iterations. iteration 461: trace = 2.578881777166412 (2.0529e-07% change) linmin: converged after 4 iterations. iteration 462: trace = 2.578881776034973 (4.38732e-08% change) large trace change predicted (1.50906e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.578881772143241 (1.50908e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.578881769957443 (8.47576e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.578881768117332 (7.13531e-08% change) large trace change predicted (1.58022e-07%) linmin: converged after 14 iterations. iteration 466: trace = 2.578881764042163 (1.58021e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.578881762840033 (4.66144e-08% change) large trace change predicted (1.37493e-07%) linmin: converged after 11 iterations. iteration 468: trace = 2.578881759294307 (1.37491e-07% change) linmin: converged after 3 iterations. iteration 469: trace = 2.578881755794579 (1.35707e-07% change) linmin: converged after 13 iterations. iteration 470: trace = 2.578881752857392 (1.13894e-07% change) linmin: converged after 4 iterations. iteration 471: trace = 2.578881751758874 (4.25967e-08% change) large trace change predicted (1.35528e-07%) linmin: converged after 6 iterations. iteration 472: trace = 2.578881748263829 (1.35526e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.578881746362166 (7.37398e-08% change) linmin: converged after 8 iterations. iteration 474: trace = 2.578881744264937 (8.13232e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.578881741230324 (1.17672e-07% change) linmin: converged after 25 iterations. iteration 476: trace = 2.578881740413466 (3.16749e-08% change) large trace change predicted (8.37885e-08%) linmin: converged after 7 iterations. iteration 477: trace = 2.57888173825268 (8.37877e-08% change) linmin: converged after 5 iterations. iteration 478: trace = 2.578881736275641 (7.66626e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.578881734740372 (5.95324e-08% change) linmin: converged after 2 iterations. iteration 480: trace = 2.578881733424658 (5.10188e-08% change) linmin: converged after 3 iterations. iteration 481: trace = 2.578881731610245 (7.03566e-08% change) linmin: converged after 5 iterations. iteration 482: trace = 2.57888173046422 (4.44388e-08% change) linmin: converged after 3 iterations. iteration 483: trace = 2.578881728930397 (5.94763e-08% change) linmin: converged after 3 iterations. iteration 484: trace = 2.578881726796019 (8.27637e-08% change) linmin: converged after 23 iterations. iteration 485: trace = 2.578881726395301 (1.55384e-08% change) large trace change predicted (7.78167e-08%) linmin: converged after 3 iterations. iteration 486: trace = 2.578881724388504 (7.78166e-08% change) linmin: converged after 6 iterations. iteration 487: trace = 2.578881723579599 (3.13665e-08% change) linmin: converged after 8 iterations. iteration 488: trace = 2.578881722964235 (2.38617e-08% change) large trace change predicted (6.26783e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.578881721347817 (6.2679e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.57888172061093 (2.85739e-08% change) linmin: converged after 3 iterations. iteration 491: trace = 2.57888172008326 (2.04612e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.578881719132371 (3.68722e-08% change) linmin: converged after 4 iterations. iteration 493: trace = 2.57888171860348 (2.05085e-08% change) large trace change predicted (4.23988e-08%) linmin: converged after 4 iterations. iteration 494: trace = 2.578881717510059 (4.2399e-08% change) linmin: converged after 20 iterations. iteration 495: trace = 2.578881716440401 (4.14776e-08% change) linmin: converged after 7 iterations. iteration 496: trace = 2.578881715999779 (1.70858e-08% change) large trace change predicted (5.38347e-08%) linmin: converged after 4 iterations. iteration 497: trace = 2.578881714611438 (5.3835e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.578881713775984 (3.2396e-08% change) linmin: converged after 2 iterations. iteration 499: trace = 2.578881713104468 (2.6039e-08% change) linmin: converged after 13 iterations. iteration 500: trace = 2.578881711900157 (4.6699e-08% change) linmin: converged after 4 iterations. iteration 501: trace = 2.578881711570871 (1.27686e-08% change) large trace change predicted (4.67447e-08%) linmin: converged after 27 iterations. iteration 502: trace = 2.578881710365367 (4.67452e-08% change) linmin: converged after 10 iterations. iteration 503: trace = 2.578881709098516 (4.9124e-08% change) linmin: converged after 5 iterations. iteration 504: trace = 2.578881708550963 (2.12322e-08% change) large trace change predicted (4.36135e-08%) linmin: converged after 4 iterations. iteration 505: trace = 2.578881707426208 (4.3614e-08% change) linmin: converged after 2 iterations. iteration 506: trace = 2.578881705696803 (6.70603e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881705324422 (1.44396e-08% change) large trace change predicted (6.48776e-08%) linmin: converged after 4 iterations. iteration 508: trace = 2.578881703651295 (6.4878e-08% change) linmin: converged after 3 iterations. iteration 509: trace = 2.578881702353984 (5.03052e-08% change) linmin: converged after 2 iterations. iteration 510: trace = 2.578881701931412 (1.63859e-08% change) large trace change predicted (5.76444e-08%) linmin: converged after 2 iterations. iteration 511: trace = 2.57888170044483 (5.76444e-08% change) linmin: converged after 4 iterations. iteration 512: trace = 2.578881699206967 (4.8e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881698790621 (1.61444e-08% change) large trace change predicted (4.05583e-08%) linmin: converged after 3 iterations. iteration 514: trace = 2.578881697744671 (4.05583e-08% change) linmin: converged after 4 iterations. iteration 515: trace = 2.578881696824488 (3.56815e-08% change) linmin: converged after 4 iterations. iteration 516: trace = 2.578881696570689 (9.84143e-09% change) large trace change predicted (4.43713e-08%) linmin: converged after 7 iterations. iteration 517: trace = 2.578881695426416 (4.43709e-08% change) linmin: converged after 8 iterations. iteration 518: trace = 2.578881694529659 (3.47731e-08% change) linmin: converged after 4 iterations. iteration 519: trace = 2.57888169419587 (1.29432e-08% change) large trace change predicted (4.10891e-08%) linmin: converged after 7 iterations. iteration 520: trace = 2.578881693136247 (4.10885e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.578881692225905 (3.52999e-08% change) linmin: converged after 4 iterations. iteration 522: trace = 2.57888169194437 (1.09169e-08% change) large trace change predicted (3.03904e-08%) linmin: converged after 4 iterations. iteration 523: trace = 2.578881691160646 (3.03901e-08% change) linmin: converged after 18 iterations. iteration 524: trace = 2.578881690326474 (3.23462e-08% change) linmin: converged after 8 iterations. iteration 525: trace = 2.578881690155473 (6.63082e-09% change) large trace change predicted (3.01941e-08%) linmin: converged after 8 iterations. iteration 526: trace = 2.578881689376807 (3.0194e-08% change) linmin: converged after 18 iterations. iteration 527: trace = 2.578881688731553 (2.50207e-08% change) linmin: converged after 3 iterations. iteration 528: trace = 2.578881688444784 (1.11199e-08% change) large trace change predicted (4.2053e-08%) linmin: converged after 3 iterations. iteration 529: trace = 2.578881687360286 (4.20531e-08% change) linmin: converged after 8 iterations. iteration 530: trace = 2.578881687000492 (1.39515e-08% change) large trace change predicted (3.19721e-08%) linmin: converged after 2 iterations. iteration 531: trace = 2.578881686175969 (3.19721e-08% change) linmin: converged after 3 iterations. iteration 532: trace = 2.578881685623308 (2.14303e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.578881685386075 (9.19904e-09% change) large trace change predicted (2.54369e-08%) linmin: converged after 3 iterations. iteration 534: trace = 2.578881684730082 (2.54371e-08% change) linmin: converged after 4 iterations. iteration 535: trace = 2.578881684285656 (1.72333e-08% change) linmin: converged after 12 iterations. iteration 536: trace = 2.578881683866025 (1.62718e-08% change) linmin: converged after 9 iterations. iteration 537: trace = 2.57888168322954 (2.46806e-08% change) linmin: converged after 20 iterations. iteration 538: trace = 2.578881682599863 (2.44167e-08% change) linmin: converged after 4 iterations. iteration 539: trace = 2.578881682440754 (6.1697e-09% change) large trace change predicted (2.98018e-08%) linmin: converged after 2 iterations. iteration 540: trace = 2.578881681672193 (2.98021e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.578881680871021 (3.10666e-08% change) linmin: converged after 8 iterations. iteration 542: trace = 2.578881680657009 (8.29863e-09% change) large trace change predicted (2.40354e-08%) linmin: converged after 7 iterations. iteration 543: trace = 2.578881680037163 (2.40355e-08% change) linmin: converged after 19 iterations. iteration 544: trace = 2.578881679535727 (1.94439e-08% change) linmin: converged after 10 iterations. iteration 545: trace = 2.578881679305848 (8.91391e-09% change) linmin: converged after 5 iterations. iteration 546: trace = 2.578881678895947 (1.58945e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881678267911 (2.4353e-08% change) linmin: converged after 4 iterations. iteration 548: trace = 2.578881678145691 (4.73928e-09% change) large trace change predicted (1.84966e-08%) linmin: converged after 18 iterations. iteration 549: trace = 2.578881677668686 (1.84966e-08% change) linmin: converged after 14 iterations. iteration 550: trace = 2.578881677247807 (1.63202e-08% change) linmin: converged after 3 iterations. iteration 551: trace = 2.578881677099344 (5.75689e-09% change) large trace change predicted (2.16159e-08%) linmin: converged after 4 iterations. iteration 552: trace = 2.578881676541894 (2.1616e-08% change) linmin: converged after 4 iterations. iteration 553: trace = 2.578881676205257 (1.30536e-08% change) linmin: converged after 5 iterations. iteration 554: trace = 2.578881676005037 (7.76382e-09% change) linmin: converged after 4 iterations. iteration 555: trace = 2.57888167572235 (1.09616e-08% change) linmin: converged after 3 iterations. iteration 556: trace = 2.578881675525373 (7.63806e-09% change) linmin: converged after 4 iterations. iteration 557: trace = 2.578881675330387 (7.56088e-09% change) large trace change predicted (2.2751e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674743669 (2.27508e-08% change) linmin: converged after 17 iterations. iteration 559: trace = 2.578881674431383 (1.21094e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.57888167417722 (9.85555e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881673804093 (1.44686e-08% change) linmin: converged after 6 iterations. iteration 562: trace = 2.578881673703111 (3.91576e-09% change) linmin: converged after 2 iterations. iteration 563: trace = 2.578881673513843 (7.33914e-09% change) linmin: converged after 4 iterations. iteration 564: trace = 2.578881673311699 (7.83844e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.578881673237389 (2.88146e-09% change) large trace change predicted (9.00156e-09%) linmin: converged after 3 iterations. iteration 566: trace = 2.578881673005251 (9.00153e-09% change) linmin: converged after 5 iterations. iteration 567: trace = 2.578881672784038 (8.57784e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.578881672727012 (2.21127e-09% change) large trace change predicted (1.0801e-08%) linmin: converged after 20 iterations. iteration 569: trace = 2.578881672448469 (1.08009e-08% change) linmin: converged after 4 iterations. iteration 570: trace = 2.57888167224398 (7.92938e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.578881672124991 (4.61399e-09% change) large trace change predicted (1.07538e-08%) linmin: converged after 5 iterations. iteration 572: trace = 2.578881671847666 (1.07537e-08% change) linmin: converged after 4 iterations. iteration 573: trace = 2.57888167164332 (7.92383e-09% change) linmin: converged after 6 iterations. iteration 574: trace = 2.578881671470934 (6.68451e-09% change) linmin: converged after 18 iterations. iteration 575: trace = 2.578881671275687 (7.57103e-09% change) linmin: converged after 18 iterations. iteration 576: trace = 2.578881671142784 (5.15351e-09% change) linmin: converged after 17 iterations. iteration 577: trace = 2.578881670968258 (6.7675e-09% change) linmin: converged after 14 iterations. iteration 578: trace = 2.578881670643881 (1.25782e-08% change) linmin: converged after 2 iterations. iteration 579: trace = 2.578881670575647 (2.64589e-09% change) large trace change predicted (9.61089e-09%) linmin: converged after 24 iterations. iteration 580: trace = 2.578881670327794 (9.61087e-09% change) linmin: converged after 2 iterations. iteration 581: trace = 2.578881670176983 (5.84794e-09% change) linmin: converged after 2 iterations. iteration 582: trace = 2.578881670114658 (2.41672e-09% change) large trace change predicted (5.90418e-09%) linmin: converged after 4 iterations. iteration 583: trace = 2.578881669962398 (5.90414e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.578881669797792 (6.38283e-09% change) linmin: converged after 2 iterations. iteration 585: trace = 2.578881669691731 (4.11265e-09% change) linmin: converged after 7 iterations. iteration 586: trace = 2.57888166963606 (2.15873e-09% change) large trace change predicted (5.53498e-09%) linmin: converged after 7 iterations. iteration 587: trace = 2.578881669493323 (5.53487e-09% change) linmin: converged after 16 iterations. iteration 588: trace = 2.578881669411213 (3.18393e-09% change) linmin: converged after 6 iterations. iteration 589: trace = 2.578881669294958 (4.50794e-09% change) linmin: converged after 17 iterations. iteration 590: trace = 2.578881669142441 (5.91406e-09% change) linmin: converged after 13 iterations. iteration 591: trace = 2.578881669004274 (5.35766e-09% change) linmin: converged after 4 iterations. iteration 592: trace = 2.578881668959339 (1.74241e-09% change) large trace change predicted (4.58451e-09%) linmin: converged after 6 iterations. iteration 593: trace = 2.578881668841109 (4.58454e-09% change) linmin: converged after 2 iterations. iteration 594: trace = 2.578881668730439 (4.29142e-09% change) linmin: converged after 13 iterations. iteration 595: trace = 2.578881668690936 (1.53176e-09% change) large trace change predicted (6.62394e-09%) linmin: converged after 17 iterations. iteration 596: trace = 2.578881668520116 (6.62383e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881668437264 (3.21269e-09% change) linmin: converged after 13 iterations. iteration 598: trace = 2.578881668391408 (1.77813e-09% change) large trace change predicted (4.56028e-09%) linmin: converged after 22 iterations. iteration 599: trace = 2.578881668273801 (4.56041e-09% change) linmin: converged after 2 iterations. iteration 600: trace = 2.578881668193542 (3.11216e-09% change) linmin: converged after 2 iterations. iteration 601: trace = 2.578881668094963 (3.82253e-09% change) linmin: converged after 5 iterations. iteration 602: trace = 2.578881667993249 (3.94414e-09% change) linmin: converged after 5 iterations. iteration 603: trace = 2.578881667952805 (1.56828e-09% change) linmin: converged after 4 iterations. iteration 604: trace = 2.578881667889614 (2.45032e-09% change) linmin: converged after 21 iterations. iteration 605: trace = 2.578881667791166 (3.81747e-09% change) linmin: converged after 4 iterations. iteration 606: trace = 2.578881667761854 (1.13662e-09% change) large trace change predicted (3.68518e-09%) linmin: converged after 17 iterations. iteration 607: trace = 2.578881667666816 (3.68525e-09% change) linmin: converged after 4 iterations. iteration 608: trace = 2.578881667572848 (3.64373e-09% change) linmin: converged after 6 iterations. iteration 609: trace = 2.578881667545653 (1.05455e-09% change) large trace change predicted (3.63657e-09%) linmin: converged after 4 iterations. iteration 610: trace = 2.578881667451869 (3.6366e-09% change) linmin: converged after 7 iterations. iteration 611: trace = 2.57888166735917 (3.59453e-09% change) linmin: converged after 4 iterations. iteration 612: trace = 2.578881667337017 (8.59031e-10% change) large trace change predicted (3.18174e-09%) linmin: converged after 5 iterations. iteration 613: trace = 2.578881667254965 (3.18166e-09% change) linmin: converged after 21 iterations. iteration 614: trace = 2.578881667189596 (2.53478e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.578881667164512 (9.72684e-10% change) large trace change predicted (2.7682e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.578881667093126 (2.7681e-09% change) linmin: converged after 4 iterations. iteration 617: trace = 2.578881667024233 (2.67144e-09% change) linmin: converged after 12 iterations. iteration 618: trace = 2.578881666974709 (1.92036e-09% change) linmin: converged after 4 iterations. iteration 619: trace = 2.578881666939917 (1.3491e-09% change) linmin: converged after 3 iterations. iteration 620: trace = 2.578881666886582 (2.06815e-09% change) linmin: converged after 4 iterations. iteration 621: trace = 2.578881666845978 (1.57448e-09% change) linmin: converged after 16 iterations. iteration 622: trace = 2.578881666825481 (7.94799e-10% change) large trace change predicted (2.18603e-09%) linmin: converged after 9 iterations. iteration 623: trace = 2.578881666769102 (2.18618e-09% change) linmin: converged after 2 iterations. iteration 624: trace = 2.578881666756613 (4.84302e-10% change) large trace change predicted (1.64009e-09%) linmin: converged after 3 iterations. iteration 625: trace = 2.578881666714318 (1.64002e-09% change) linmin: converged after 6 iterations. iteration 626: trace = 2.578881666684696 (1.14864e-09% change) linmin: converged after 3 iterations. iteration 627: trace = 2.578881666676278 (3.26444e-10% change) large trace change predicted (1.11584e-09%) linmin: converged after 4 iterations. iteration 628: trace = 2.578881666647502 (1.11584e-09% change) large trace change predicted (4.2729e-09%) linmin: converged after 4 iterations. iteration 629: trace = 2.578881666537307 (4.27296e-09% change) resetting CG direction... linmin: converged after 12 iterations. iteration 630: trace = 2.578881666503706 (1.30293e-09% change) linmin: converged after 2 iterations. iteration 631: trace = 2.57888166645622 (1.84134e-09% change) linmin: converged after 3 iterations. iteration 632: trace = 2.578881666437181 (7.38248e-10% change) linmin: converged after 7 iterations. iteration 633: trace = 2.578881666422891 (5.5413e-10% change) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666399871 (8.92628e-10% change) linmin: converged after 4 iterations. iteration 635: trace = 2.578881666384287 (6.04292e-10% change) linmin: converged after 4 iterations. iteration 636: trace = 2.578881666365934 (7.11695e-10% change) large trace change predicted (1.43642e-09%) linmin: converged after 2 iterations. iteration 637: trace = 2.578881666328892 (1.43634e-09% change) linmin: converged after 7 iterations. iteration 638: trace = 2.578881666320313 (3.3266e-10% change) large trace change predicted (1.41146e-09%) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666283914 (1.41142e-09% change) linmin: converged after 8 iterations. iteration 640: trace = 2.578881666258112 (1.00053e-09% change) linmin: converged after 6 iterations. iteration 641: trace = 2.578881666245787 (4.77913e-10% change) large trace change predicted (1.54273e-09%) linmin: converged after 2 iterations. iteration 642: trace = 2.578881666206002 (1.54271e-09% change) linmin: converged after 3 iterations. iteration 643: trace = 2.578881666195884 (3.92346e-10% change) large trace change predicted (1.21675e-09%) linmin: converged after 2 iterations. iteration 644: trace = 2.578881666164506 (1.21675e-09% change) linmin: converged after 3 iterations. iteration 645: trace = 2.578881666128123 (1.41078e-09% change) linmin: converged after 9 iterations. iteration 646: trace = 2.578881666104824 (9.03459e-10% change) linmin: converged after 4 iterations. iteration 647: trace = 2.578881666078718 (1.01229e-09% change) linmin: converged after 10 iterations. iteration 648: trace = 2.578881666036934 (1.62023e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881666027613 (3.61453e-10% change) large trace change predicted (1.13286e-09%) linmin: converged after 3 iterations. iteration 650: trace = 2.578881665998395 (1.13299e-09% change) linmin: converged after 2 iterations. iteration 651: trace = 2.578881665964082 (1.33054e-09% change) linmin: converged after 10 iterations. iteration 652: trace = 2.578881665945643 (7.14984e-10% change) linmin: converged after 5 iterations. iteration 653: trace = 2.578881665923241 (8.68657e-10% change) linmin: converged after 3 iterations. iteration 654: trace = 2.578881665898551 (9.57393e-10% change) linmin: converged after 4 iterations. iteration 655: trace = 2.578881665872535 (1.00883e-09% change) linmin: converged after 4 iterations. iteration 656: trace = 2.578881665866313 (2.41273e-10% change) large trace change predicted (8.23597e-10%) linmin: converged after 4 iterations. iteration 657: trace = 2.578881665845075 (8.2354e-10% change) linmin: converged after 3 iterations. iteration 658: trace = 2.57888166581648 (1.10881e-09% change) linmin: converged after 19 iterations. iteration 659: trace = 2.578881665803593 (4.99714e-10% change) linmin: converged after 5 iterations. iteration 660: trace = 2.578881665780927 (8.78886e-10% change) linmin: converged after 5 iterations. iteration 661: trace = 2.57888166574625 (1.34468e-09% change) linmin: converged after 9 iterations. iteration 662: trace = 2.578881665738843 (2.87216e-10% change) large trace change predicted (6.38989e-10%) linmin: converged after 3 iterations. iteration 663: trace = 2.578881665722364 (6.38974e-10% change) linmin: converged after 4 iterations. iteration 664: trace = 2.578881665696576 (9.99978e-10% change) linmin: converged after 4 iterations. iteration 665: trace = 2.578881665690481 (2.36348e-10% change) large trace change predicted (1.03914e-09%) linmin: converged after 7 iterations. iteration 666: trace = 2.578881665663682 (1.03915e-09% change) linmin: converged after 3 iterations. iteration 667: trace = 2.578881665645731 (6.9611e-10% change) linmin: converged after 6 iterations. iteration 668: trace = 2.578881665637866 (3.04953e-10% change) large trace change predicted (7.88671e-10%) linmin: converged after 5 iterations. iteration 669: trace = 2.578881665617526 (7.88738e-10% change) linmin: converged after 4 iterations. iteration 670: trace = 2.578881665602862 (5.68612e-10% change) linmin: converged after 5 iterations. iteration 671: trace = 2.578881665590702 (4.71507e-10% change) linmin: converged after 4 iterations. iteration 672: trace = 2.578881665573595 (6.6334e-10% change) linmin: converged after 4 iterations. iteration 673: trace = 2.578881665563614 (3.87059e-10% change) linmin: converged after 9 iterations. iteration 674: trace = 2.578881665554521 (3.52584e-10% change) linmin: converged after 4 iterations. iteration 675: trace = 2.5788816655406 (5.39802e-10% change) linmin: converged after 2 iterations. iteration 676: trace = 2.578881665529289 (4.38616e-10% change) linmin: converged after 3 iterations. iteration 677: trace = 2.578881665523109 (2.39602e-10% change) large trace change predicted (6.70971e-10%) linmin: converged after 6 iterations. iteration 678: trace = 2.578881665505807 (6.70934e-10% change) linmin: converged after 3 iterations. iteration 679: trace = 2.578881665495779 (3.8885e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.57888166548735 (3.26857e-10% change) large trace change predicted (7.16687e-10%) linmin: converged after 5 iterations. iteration 681: trace = 2.578881665468868 (7.16637e-10% change) linmin: converged after 4 iterations. iteration 682: trace = 2.578881665458713 (3.93792e-10% change) linmin: converged after 7 iterations. iteration 683: trace = 2.578881665442436 (6.31156e-10% change) linmin: converged after 9 iterations. iteration 684: trace = 2.578881665423453 (7.36096e-10% change) linmin: converged after 3 iterations. iteration 685: trace = 2.578881665418958 (1.7432e-10% change) large trace change predicted (4.43826e-10%) linmin: converged after 6 iterations. iteration 686: trace = 2.578881665407515 (4.43714e-10% change) linmin: converged after 2 iterations. iteration 687: trace = 2.578881665391715 (6.12644e-10% change) linmin: converged after 6 iterations. iteration 688: trace = 2.578881665374994 (6.4841e-10% change) linmin: converged after 7 iterations. iteration 689: trace = 2.578881665367425 (2.93484e-10% change) linmin: converged after 4 iterations. iteration 690: trace = 2.578881665361599 (2.25929e-10% change) linmin: converged after 6 iterations. iteration 691: trace = 2.578881665351054 (4.08877e-10% change) linmin: converged after 2 iterations. iteration 692: trace = 2.578881665347695 (1.30254e-10% change) large trace change predicted (2.82497e-10%) linmin: converged after 2 iterations. iteration 693: trace = 2.578881665340408 (2.82567e-10% change) linmin: converged after 5 iterations. iteration 694: trace = 2.578881665333395 (2.71925e-10% change) linmin: converged after 4 iterations. iteration 695: trace = 2.578881665331004 (9.27137e-11% change) Finished solving for bands 1 to 10 after 695 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: 7.919523000717163 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311296634438 (2.29524% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853018035944 (0.601527% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444393244834 (0.566463% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059507698144 (0.124869% change) large trace change predicted (0.449862%) linmin: converged after 5 iterations. iteration 5: trace = 2.697340814743225 (0.433512% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429747580837 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690552899452 (0.176043% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920554785932 (0.177501% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317590926741 (0.0597203% change) large trace change predicted (0.123463%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110929713463 (0.119575% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993885365069 (0.0416877% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047372613721 (0.0726848% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749458981521 (0.0484948% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253303858976 (0.0185444% change) large trace change predicted (0.0689957%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346657057431 (0.0668098% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597493940783 (0.0325128% change) large trace change predicted (0.0848717%) linmin: converged after 7 iterations. iteration 17: trace = 2.670556167341361 (0.0764091% change) linmin: converged after 10 iterations. iteration 18: trace = 2.669703726948298 (0.0319251% change) linmin: converged after 5 iterations. iteration 19: trace = 2.668900200672159 (0.0301025% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441631267317 (0.0171834% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894166230182 (0.0205184% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712295293199 (0.00681725% change) linmin: converged after 3 iterations. iteration 23: trace = 2.667380526161295 (0.0124372% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218964197062 (0.00605714% change) large trace change predicted (0.0140636%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847632071785 (0.013923% change) linmin: converged after 5 iterations. iteration 26: trace = 2.666714491892137 (0.00499254% change) large trace change predicted (0.0115122%) linmin: converged after 4 iterations. iteration 27: trace = 2.666407925224351 (0.0114967% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220198814537 (0.00704067% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665973014843148 (0.00927138% change) linmin: converged after 4 iterations. iteration 30: trace = 2.66578908861394 (0.00689927% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665604002629779 (0.00694325% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322301986798 (0.0105685% change) linmin: converged after 3 iterations. iteration 33: trace = 2.66517527746997 (0.00551635% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933831636051 (0.0090597% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826898723723 (0.00401267% change) large trace change predicted (0.00927286%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575594085023 (0.00943087% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485998391438 (0.00336253% change) large trace change predicted (0.00824584%) linmin: converged after 3 iterations. iteration 38: trace = 2.664263141222243 (0.00836433% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167621151513 (0.0035853% change) large trace change predicted (0.00963704%) linmin: converged after 3 iterations. iteration 40: trace = 2.66390758471377 (0.00976099% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804955149769 (0.00385267% change) large trace change predicted (0.0104143%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525681587532 (0.0104846% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401538697763 (0.00466096% change) large trace change predicted (0.00944228%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149046914883 (0.0094805% change) linmin: converged after 4 iterations. iteration 45: trace = 2.663044826058351 (0.00391352% change) large trace change predicted (0.00794041%) linmin: converged after 4 iterations. iteration 46: trace = 2.662833295542443 (0.0079435% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716748468193 (0.0043769% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492855454738 (0.0084088% change) linmin: converged after 4 iterations. iteration 49: trace = 2.66236313046184 (0.00487243% change) linmin: converged after 4 iterations. iteration 50: trace = 2.6621943463014 (0.00633984% change) linmin: converged after 4 iterations. iteration 51: trace = 2.66205819515088 (0.00511438% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879939055398 (0.0066964% change) linmin: converged after 4 iterations. iteration 53: trace = 2.6617243551729 (0.00584506% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571552958402 (0.00574089% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350548021578 (0.0083039% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190825864392 (0.00600173% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967623363604 (0.00838767% change) linmin: converged after 4 iterations. iteration 58: trace = 2.660849210396298 (0.0044501% change) large trace change predicted (0.00999775%) linmin: converged after 4 iterations. iteration 59: trace = 2.660586048140524 (0.00989065% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492834920701 (0.00350355% change) large trace change predicted (0.0083798%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271632994994 (0.00831467% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168654137529 (0.00387107% change) large trace change predicted (0.0102886%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896419604897 (0.0102343% change) linmin: converged after 4 iterations. iteration 64: trace = 2.659777334518675 (0.00447716% change) linmin: converged after 5 iterations. iteration 65: trace = 2.659570174141902 (0.00778894% change) linmin: converged after 5 iterations. iteration 66: trace = 2.659406484670348 (0.00615492% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264291516719 (0.00534694% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119289067121 (0.00545288% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023786467229 (0.00359158% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915735585229 (0.00406364% change) large trace change predicted (0.0163846%) linmin: converged after 3 iterations. iteration 71: trace = 2.658478083740948 (0.0164611% change) linmin: converged after 3 iterations. iteration 72: trace = 2.65811887996548 (0.0135125% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882848333743 (0.00888004% change) linmin: converged after 3 iterations. iteration 74: trace = 2.65759822273142 (0.0107093% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541442467298 (0.00213655% change) large trace change predicted (0.00462985%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418189295992 (0.00463797% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346053678644 (0.00271454% change) linmin: converged after 5 iterations. iteration 78: trace = 2.657324650017959 (0.000805456% change) large trace change predicted (0.00211719%) linmin: converged after 3 iterations. iteration 79: trace = 2.6572682699366 (0.00212171% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245593682953 (0.000853371% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219543627238 (0.000980345% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182564906725 (0.00139164% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167975838975 (0.000549044% change) large trace change predicted (0.00207288%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112843630898 (0.00207487% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052015926712 (0.00228927% change) linmin: converged after 6 iterations. iteration 86: trace = 2.657017522711786 (0.00129818% change) large trace change predicted (0.00419276%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905852798665 (0.00420292% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840710590972 (0.00245184% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716162737447 (0.00468793% change) linmin: converged after 10 iterations. iteration 90: trace = 2.656564675094384 (0.00570223% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504317902823 (0.00227203% change) large trace change predicted (0.00808388%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289738476743 (0.00807784% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193410604766 (0.00362647% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063332584693 (0.00489728% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889814358271 (0.00653312% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839056925713 (0.00191115% change) large trace change predicted (0.00421317%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727166683859 (0.00421308% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616084850395 (0.00418282% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571127227531 (0.00169294% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503737340169 (0.00253771% change) linmin: converged after 3 iterations. iteration 101: trace = 2.65548890494643 (0.000558554% change) large trace change predicted (0.00182278%) linmin: converged after 5 iterations. iteration 102: trace = 2.655440522497324 (0.001822% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383151665787 (0.00216052% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357444133485 (0.000968134% change) large trace change predicted (0.00357606%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262439387582 (0.00357792% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229530112127 (0.00123941% change) large trace change predicted (0.00270538%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157633571965 (0.00270777% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030910135774 (0.00477284% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980424562088 (0.00190152% change) large trace change predicted (0.00534944%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838279788363 (0.00535403% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712137956934 (0.00475151% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658460229707 (0.002022% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566817525717 (0.00345221% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539485322585 (0.00102963% change) large trace change predicted (0.00383308%) linmin: converged after 3 iterations. iteration 115: trace = 2.654437761783158 (0.00383213% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364539727482 (0.00275852% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340175241705 (0.000917907% change) large trace change predicted (0.00275125%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267193091775 (0.00274958% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255154585214 (0.000453554% change) large trace change predicted (0.00136348%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218982744806 (0.0013628% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200859579114 (0.000682808% change) linmin: converged after 4 iterations. iteration 122: trace = 2.654193383725691 (0.000281662% change) large trace change predicted (0.000758544%) linmin: converged after 5 iterations. iteration 123: trace = 2.654173251749096 (0.0007585% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167281058546 (0.000224955% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157918635503 (0.000352745% change) linmin: converged after 5 iterations. iteration 126: trace = 2.654147426414101 (0.000395313% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143563015188 (0.000145561% change) large trace change predicted (0.000376623%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133566673477 (0.000376632% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120962411619 (0.000474893% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109186971857 (0.000443667% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085874146063 (0.000878371% change) linmin: converged after 4 iterations. iteration 132: trace = 2.654077836906111 (0.000302826% change) large trace change predicted (0.000990741%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051527371469 (0.000991292% change) linmin: converged after 4 iterations. iteration 134: trace = 2.654040113731782 (0.000430047% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033610555661 (0.00024503% change) linmin: converged after 7 iterations. iteration 136: trace = 2.65402220898112 (0.000429595% change) linmin: converged after 3 iterations. iteration 137: trace = 2.65401809790457 (0.0001549% change) large trace change predicted (0.000481007%) linmin: converged after 3 iterations. iteration 138: trace = 2.654005331048087 (0.00048104% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702337915 (0.000313024% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.653995082735792 (7.31216e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992467176301 (9.85518e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.653990150481748 (8.7291e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988583060563 (5.90591e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.65398574207409 (0.000107046% change) linmin: converged after 3 iterations. iteration 145: trace = 2.65398464308768 (4.14089e-05% change) linmin: converged after 5 iterations. iteration 146: trace = 2.653982738644119 (7.17579e-05% change) linmin: converged after 3 iterations. iteration 147: trace = 2.653979598483301 (0.000118319% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979054489113 (2.04973e-05% change) large trace change predicted (9.46848e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976541467814 (9.46889e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975153122185 (5.23119e-05% change) linmin: converged after 5 iterations. iteration 151: trace = 2.653973693733746 (5.49888e-05% change) large trace change predicted (0.000111662%) linmin: converged after 4 iterations. iteration 152: trace = 2.653970730292136 (0.000111661% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968435992419 (8.64479e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966786079259 (6.21678e-05% change) large trace change predicted (0.000206085%) linmin: converged after 4 iterations. iteration 155: trace = 2.653961316340721 (0.000206097% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959581677588 (6.53613e-05% change) large trace change predicted (0.000249145%) linmin: converged after 3 iterations. iteration 157: trace = 2.653952969549541 (0.000249142% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947554861442 (0.000204024% change) linmin: converged after 10 iterations. iteration 159: trace = 2.653944311193481 (0.000122221% change) large trace change predicted (0.000321192%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935784817983 (0.000321272% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926967218363 (0.000332247% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925362612627 (6.04616e-05% change) large trace change predicted (0.000210643%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919771736998 (0.000210665% change) linmin: converged after 3 iterations. iteration 164: trace = 2.653917949970049 (6.86444e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.65391587590762 (7.8151e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.653913455894132 (9.11866e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912728770709 (2.73982e-05% change) large trace change predicted (0.0001003%) linmin: converged after 4 iterations. iteration 168: trace = 2.653910066677932 (0.000100308% change) linmin: converged after 5 iterations. iteration 169: trace = 2.65390823433632 (6.90431e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907653197871 (2.18975e-05% change) large trace change predicted (7.382e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.653905694353958 (7.38098e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904100035631 (6.00744e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.653903598235516 (1.8908e-05% change) large trace change predicted (6.97499e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.653901747345062 (6.97422e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900307947183 (5.42371e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899659951873 (2.44167e-05% change) large trace change predicted (8.21516e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897479963062 (8.21429e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.653894782314973 (0.000101649% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893724906072 (3.98437e-05% change) large trace change predicted (0.000173322%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889124997887 (0.000173327% change) linmin: converged after 5 iterations. iteration 181: trace = 2.653888300899383 (3.10525e-05% change) large trace change predicted (9.92635e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885666343307 (9.92716e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.653883595138453 (7.80443e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882450296378 (4.31384e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513227987 (7.299e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.65388002983162 (1.82147e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.65387927227761 (2.85452e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.653878602475623 (2.52386e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878400766879 (7.60053e-06% change) large trace change predicted (1.88271e-05%) linmin: converged after 4 iterations. iteration 190: trace = 2.65387790112343 (1.88269e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.65387742175929 (1.80628e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877310447028 (4.19433e-06% change) large trace change predicted (1.21096e-05%) linmin: converged after 6 iterations. iteration 193: trace = 2.653876989077304 (1.21094e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.653876698612727 (1.09449e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.653876503884895 (7.33749e-06% change) large trace change predicted (1.82653e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.653876019164103 (1.82646e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875742005214 (1.04436e-05% change) large trace change predicted (2.56651e-05%) linmin: converged after 9 iterations. iteration 198: trace = 2.653875060923412 (2.56637e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.653874147430899 (3.44211e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873608597999 (2.03036e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.653872933440306 (2.54405e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871894923031 (3.91321e-05% change) linmin: converged after 16 iterations. iteration 203: trace = 2.653871542584625 (1.32764e-05% change) large trace change predicted (3.24589e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870681099855 (3.24614e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.653870111873203 (2.14489e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.653869968610644 (5.39825e-06% change) large trace change predicted (1.29013e-05%) linmin: converged after 3 iterations. iteration 207: trace = 2.653869626228569 (1.29012e-05% change) linmin: converged after 5 iterations. iteration 208: trace = 2.653869346280059 (1.05487e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.653869078201929 (1.01014e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868929011351 (5.62163e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868854425204 (2.81047e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.653868739303829 (4.33787e-06% change) linmin: converged after 3 iterations. iteration 213: trace = 2.653868663934467 (2.83998e-06% change) large trace change predicted (7.01087e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868477861577 (7.01138e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868241101825 (8.92131e-06% change) linmin: converged after 2 iterations. iteration 216: trace = 2.653868167812266 (2.76161e-06% change) large trace change predicted (1.0661e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.653867884872718 (1.06614e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867628074621 (9.67637e-06% change) linmin: converged after 3 iterations. iteration 219: trace = 2.653867441978866 (7.01225e-06% change) large trace change predicted (1.43961e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867059921846 (1.43962e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866953615707 (4.00571e-06% change) large trace change predicted (1.1334e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.653866652822139 (1.13342e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866355867454 (1.11895e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866274366377 (3.07103e-06% change) large trace change predicted (6.74402e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866095394356 (6.74382e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865950108059 (5.47452e-06% change) linmin: converged after 4 iterations. iteration 227: trace = 2.653865910916134 (1.47679e-06% change) large trace change predicted (5.24731e-06%) linmin: converged after 5 iterations. iteration 228: trace = 2.653865771664839 (5.24711e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.653865713860211 (2.17813e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.653865636552066 (2.91304e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865565246918 (2.68684e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.653865524058239 (1.55203e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865447644467 (2.87934e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 2.653865309391626 (5.20949e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865265992203 (1.63533e-06% change) large trace change predicted (5.71404e-06%) linmin: converged after 5 iterations. iteration 236: trace = 2.653865114351274 (5.71397e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 2.653864884861191 (8.64739e-06% change) linmin: converged after 6 iterations. iteration 238: trace = 2.653864824933331 (2.25814e-06% change) large trace change predicted (1.44475e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864441522498 (1.44473e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864100664105 (1.28439e-05% change) linmin: converged after 9 iterations. iteration 241: trace = 2.653863994555485 (3.99827e-06% change) large trace change predicted (8.55876e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.653863767406309 (8.55919e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863490981062 (1.0416e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.653863418504771 (2.73097e-06% change) large trace change predicted (8.38369e-06%) linmin: converged after 3 iterations. iteration 245: trace = 2.653863196000054 (8.38418e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863035716725 (6.03962e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.653862975901059 (2.25391e-06% change) large trace change predicted (5.15489e-06%) linmin: converged after 2 iterations. iteration 248: trace = 2.653862839094544 (5.155e-06% change) linmin: converged after 4 iterations. iteration 249: trace = 2.65386278212028 (2.14684e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.653862736430308 (1.72164e-06% change) linmin: converged after 8 iterations. iteration 251: trace = 2.653862665310827 (2.67985e-06% change) linmin: converged after 4 iterations. iteration 252: trace = 2.653862628908474 (1.37167e-06% change) linmin: converged after 5 iterations. iteration 253: trace = 2.653862598570136 (1.14318e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862553697788 (1.69083e-06% change) linmin: converged after 4 iterations. iteration 255: trace = 2.653862500858008 (1.99105e-06% change) linmin: converged after 10 iterations. iteration 256: trace = 2.653862476831771 (9.05331e-07% change) large trace change predicted (4.06833e-06%) linmin: converged after 3 iterations. iteration 257: trace = 2.653862368869533 (4.06812e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.653862332726484 (1.3619e-06% change) large trace change predicted (3.67521e-06%) linmin: converged after 4 iterations. iteration 259: trace = 2.653862235194157 (3.67511e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.653862136944035 (3.70216e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.653862106063478 (1.16361e-06% change) large trace change predicted (3.5723e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.653862011258147 (3.57235e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 2.653861930031225 (3.06071e-06% change) linmin: converged after 6 iterations. iteration 264: trace = 2.653861898007495 (1.20668e-06% change) linmin: converged after 2 iterations. iteration 265: trace = 2.653861839307787 (2.21186e-06% change) linmin: converged after 2 iterations. iteration 266: trace = 2.653861785567018 (2.025e-06% change) linmin: converged after 3 iterations. iteration 267: trace = 2.653861759597832 (9.78543e-07% change) linmin: converged after 4 iterations. iteration 268: trace = 2.653861721113399 (1.45013e-06% change) linmin: converged after 3 iterations. iteration 269: trace = 2.653861711738903 (3.5324e-07% change) large trace change predicted (9.86634e-07%) linmin: converged after 2 iterations. iteration 270: trace = 2.653861685554769 (9.86643e-07% change) linmin: converged after 3 iterations. iteration 271: trace = 2.653861667168778 (6.92801e-07% change) linmin: converged after 3 iterations. iteration 272: trace = 2.653861661938581 (1.97079e-07% change) large trace change predicted (4.11047e-07%) linmin: converged after 2 iterations. iteration 273: trace = 2.653861651029793 (4.11053e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861639215335 (4.4518e-07% change) linmin: converged after 3 iterations. iteration 275: trace = 2.653861636613896 (9.80247e-08% change) large trace change predicted (5.01813e-07%) linmin: converged after 2 iterations. iteration 276: trace = 2.653861623296473 (5.01813e-07% change) linmin: converged after 2 iterations. iteration 277: trace = 2.653861612875928 (3.92656e-07% change) linmin: converged after 22 iterations. iteration 278: trace = 2.653861609139596 (1.40789e-07% change) large trace change predicted (1.68632e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.653861564387459 (1.6863e-06% change) resetting CG direction... linmin: converged after 35 iterations. iteration 280: trace = 2.653861551183625 (4.97533e-07% change) linmin: converged after 3 iterations. iteration 281: trace = 2.653861533112324 (6.80944e-07% change) linmin: converged after 13 iterations. iteration 282: trace = 2.653861522158746 (4.12741e-07% change) linmin: converged after 3 iterations. iteration 283: trace = 2.653861517966699 (1.5796e-07% change) large trace change predicted (3.61243e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.65386150837979 (3.61244e-07% change) linmin: converged after 2 iterations. iteration 285: trace = 2.653861501076641 (2.7519e-07% change) linmin: converged after 4 iterations. iteration 286: trace = 2.653861497157846 (1.47664e-07% change) large trace change predicted (3.91839e-07%) linmin: converged after 2 iterations. iteration 287: trace = 2.653861486758985 (3.91839e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.653861479413159 (2.76798e-07% change) linmin: converged after 4 iterations. iteration 289: trace = 2.653861474943589 (1.68418e-07% change) large trace change predicted (5.66803e-07%) linmin: converged after 3 iterations. iteration 290: trace = 2.653861459901477 (5.66801e-07% change) linmin: converged after 2 iterations. iteration 291: trace = 2.65386145284528 (2.65884e-07% change) large trace change predicted (5.75155e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861437581394 (5.75158e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 2.653861415849178 (8.1889e-07% change) linmin: converged after 5 iterations. iteration 294: trace = 2.653861408530569 (2.75772e-07% change) large trace change predicted (9.20018e-07%) linmin: converged after 5 iterations. iteration 295: trace = 2.653861384114979 (9.20002e-07% change) linmin: converged after 17 iterations. iteration 296: trace = 2.653861360621903 (8.85241e-07% change) linmin: converged after 4 iterations. iteration 297: trace = 2.653861352353709 (3.11553e-07% change) large trace change predicted (1.24396e-06%) linmin: converged after 2 iterations. iteration 298: trace = 2.653861319340613 (1.24396e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.653861306218896 (4.94439e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.653861282616043 (8.89378e-07% change) linmin: converged after 2 iterations. iteration 301: trace = 2.653861260571837 (8.30647e-07% change) linmin: converged after 2 iterations. iteration 302: trace = 2.653861251907149 (3.26494e-07% change) large trace change predicted (6.59277e-07%) linmin: converged after 2 iterations. iteration 303: trace = 2.653861234410678 (6.59284e-07% change) linmin: converged after 2 iterations. iteration 304: trace = 2.65386121944101 (5.64071e-07% change) linmin: converged after 2 iterations. iteration 305: trace = 2.653861216152757 (1.23904e-07% change) large trace change predicted (3.04292e-07%) linmin: converged after 2 iterations. iteration 306: trace = 2.653861208077203 (3.04295e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.653861200277452 (2.93902e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.653861197683667 (9.77362e-08% change) large trace change predicted (3.56147e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.653861188232015 (3.56147e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.653861181963115 (2.36218e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.653861177977903 (1.50167e-07% change) large trace change predicted (3.59532e-07%) linmin: converged after 4 iterations. iteration 312: trace = 2.653861168436463 (3.5953e-07% change) linmin: converged after 8 iterations. iteration 313: trace = 2.653861155029565 (5.05185e-07% change) linmin: converged after 2 iterations. iteration 314: trace = 2.653861143475198 (4.35379e-07% change) linmin: converged after 4 iterations. iteration 315: trace = 2.653861137787417 (2.14321e-07% change) large trace change predicted (6.16763e-07%) linmin: converged after 3 iterations. iteration 316: trace = 2.653861121419469 (6.1676e-07% change) linmin: converged after 3 iterations. iteration 317: trace = 2.653861113888344 (2.8378e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.653861104493023 (3.54025e-07% change) linmin: converged after 3 iterations. iteration 319: trace = 2.653861089820193 (5.52886e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.653861086574535 (1.22299e-07% change) large trace change predicted (6.04706e-07%) linmin: converged after 3 iterations. iteration 321: trace = 2.653861070526483 (6.04706e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.653861065374982 (1.94113e-07% change) linmin: converged after 6 iterations. iteration 323: trace = 2.653861061417526 (1.49121e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.653861056618048 (1.80849e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.653861055279695 (5.04304e-08% change) large trace change predicted (1.13518e-07%) linmin: converged after 18 iterations. iteration 326: trace = 2.653861052267044 (1.1352e-07% change) linmin: converged after 4 iterations. iteration 327: trace = 2.653861049748209 (9.49121e-08% change) linmin: converged after 3 iterations. iteration 328: trace = 2.653861048804598 (3.55561e-08% change) linmin: converged after 4 iterations. iteration 329: trace = 2.653861047175155 (6.1399e-08% change) linmin: converged after 3 iterations. iteration 330: trace = 2.653861045303788 (7.05149e-08% change) linmin: converged after 34 iterations. iteration 331: trace = 2.653861044710232 (2.23657e-08% change) large trace change predicted (8.39067e-08%) linmin: converged after 16 iterations. iteration 332: trace = 2.65386104248346 (8.39069e-08% change) linmin: converged after 3 iterations. iteration 333: trace = 2.653861040159273 (8.75776e-08% change) linmin: converged after 4 iterations. iteration 334: trace = 2.653861039057295 (4.15236e-08% change) large trace change predicted (1.11194e-07%) linmin: converged after 24 iterations. iteration 335: trace = 2.653861036106367 (1.11194e-07% change) linmin: converged after 3 iterations. iteration 336: trace = 2.653861032989835 (1.17434e-07% change) linmin: converged after 4 iterations. iteration 337: trace = 2.653861030719575 (8.55455e-08% change) linmin: converged after 4 iterations. iteration 338: trace = 2.653861026888733 (1.4435e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.653861025577617 (4.94041e-08% change) large trace change predicted (1.37613e-07%) linmin: converged after 3 iterations. iteration 340: trace = 2.653861021925548 (1.37613e-07% change) linmin: converged after 2 iterations. iteration 341: trace = 2.653861018780508 (1.18508e-07% change) linmin: converged after 14 iterations. iteration 342: trace = 2.653861017482029 (4.89279e-08% change) linmin: converged after 2 iterations. iteration 343: trace = 2.653861014901252 (9.72461e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.653861011970226 (1.10444e-07% change) linmin: converged after 24 iterations. iteration 345: trace = 2.653861010780412 (4.48333e-08% change) linmin: converged after 4 iterations. iteration 346: trace = 2.653861009511263 (4.78227e-08% change) linmin: converged after 2 iterations. iteration 347: trace = 2.653861008483147 (3.87404e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861008079786 (1.5199e-08% change) large trace change predicted (4.75254e-08%) linmin: converged after 4 iterations. iteration 349: trace = 2.653861006818531 (4.75253e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861006060297 (2.8571e-08% change) linmin: converged after 6 iterations. iteration 351: trace = 2.653861005672549 (1.46107e-08% change) large trace change predicted (2.95237e-08%) linmin: converged after 2 iterations. iteration 352: trace = 2.653861004889031 (2.95237e-08% change) linmin: converged after 4 iterations. iteration 353: trace = 2.653861004240522 (2.44364e-08% change) linmin: converged after 4 iterations. iteration 354: trace = 2.653861003295723 (3.56009e-08% change) linmin: converged after 2 iterations. iteration 355: trace = 2.653861001678611 (6.09343e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.653861001267209 (1.5502e-08% change) large trace change predicted (6.94655e-08%) linmin: converged after 2 iterations. iteration 357: trace = 2.65386099942369 (6.94656e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653860997497048 (7.25977e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996895141 (2.26804e-08% change) large trace change predicted (7.8796e-08%) linmin: converged after 3 iterations. iteration 360: trace = 2.653860994804004 (7.8796e-08% change) linmin: converged after 3 iterations. iteration 361: trace = 2.653860993004637 (6.78019e-08% change) linmin: converged after 4 iterations. iteration 362: trace = 2.653860992319742 (2.58075e-08% change) large trace change predicted (7.38247e-08%) linmin: converged after 2 iterations. iteration 363: trace = 2.653860990360537 (7.38247e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989446134 (3.44556e-08% change) linmin: converged after 4 iterations. iteration 365: trace = 2.653860988610309 (3.14947e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.65386098756108 (3.95359e-08% change) linmin: converged after 6 iterations. iteration 367: trace = 2.65386098676567 (2.99718e-08% change) linmin: converged after 4 iterations. iteration 368: trace = 2.653860986491608 (1.03269e-08% change) large trace change predicted (2.84443e-08%) linmin: converged after 4 iterations. iteration 369: trace = 2.65386098573674 (2.84441e-08% change) linmin: converged after 2 iterations. iteration 370: trace = 2.653860985567584 (6.37395e-09% change) large trace change predicted (1.63645e-08%) linmin: converged after 4 iterations. iteration 371: trace = 2.653860985133298 (1.63643e-08% change) linmin: converged after 4 iterations. iteration 372: trace = 2.65386098453702 (2.24683e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.653860984383591 (5.78138e-09% change) large trace change predicted (3.46826e-08%) linmin: converged after 8 iterations. iteration 374: trace = 2.653860983463167 (3.46824e-08% change) linmin: converged after 3 iterations. iteration 375: trace = 2.653860982756632 (2.66229e-08% change) linmin: converged after 2 iterations. iteration 376: trace = 2.653860982257396 (1.88117e-08% change) large trace change predicted (5.45469e-08%) linmin: converged after 3 iterations. iteration 377: trace = 2.653860980809795 (5.4547e-08% change) linmin: converged after 2 iterations. iteration 378: trace = 2.653860979900556 (3.4261e-08% change) large trace change predicted (7.04314e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978031409 (7.04312e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.653860975947854 (7.85103e-08% change) linmin: converged after 3 iterations. iteration 381: trace = 2.653860974610606 (5.03888e-08% change) linmin: converged after 10 iterations. iteration 382: trace = 2.653860974126382 (1.8246e-08% change) large trace change predicted (5.81678e-08%) linmin: converged after 3 iterations. iteration 383: trace = 2.653860972582684 (5.8168e-08% change) linmin: converged after 7 iterations. iteration 384: trace = 2.653860971248869 (5.02594e-08% change) linmin: converged after 4 iterations. iteration 385: trace = 2.653860970619336 (2.37214e-08% change) linmin: converged after 3 iterations. iteration 386: trace = 2.65386096981563 (3.02844e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.65386096912432 (2.60492e-08% change) linmin: converged after 19 iterations. iteration 388: trace = 2.653860968954233 (6.40902e-09% change) large trace change predicted (1.6844e-08%) linmin: converged after 16 iterations. iteration 389: trace = 2.653860968507218 (1.68439e-08% change) linmin: converged after 2 iterations. iteration 390: trace = 2.653860968103374 (1.52172e-08% change) linmin: converged after 29 iterations. iteration 391: trace = 2.653860967950313 (5.7675e-09% change) large trace change predicted (1.25031e-08%) linmin: converged after 2 iterations. iteration 392: trace = 2.653860967618496 (1.25032e-08% change) linmin: converged after 3 iterations. iteration 393: trace = 2.653860967308648 (1.16754e-08% change) linmin: converged after 13 iterations. iteration 394: trace = 2.653860967211262 (3.6696e-09% change) large trace change predicted (1.5949e-08%) linmin: converged after 2 iterations. iteration 395: trace = 2.653860966787998 (1.5949e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.653860966393603 (1.48612e-08% change) linmin: converged after 14 iterations. iteration 397: trace = 2.653860966025091 (1.38859e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.653860965439082 (2.20814e-08% change) linmin: converged after 4 iterations. iteration 399: trace = 2.653860965059938 (1.42865e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.653860964627548 (1.62929e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964019939 (2.28953e-08% change) linmin: converged after 15 iterations. iteration 402: trace = 2.653860963870919 (5.61519e-09% change) large trace change predicted (2.14703e-08%) linmin: converged after 4 iterations. iteration 403: trace = 2.653860963301128 (2.14703e-08% change) linmin: converged after 7 iterations. iteration 404: trace = 2.653860962894352 (1.53277e-08% change) linmin: converged after 6 iterations. iteration 405: trace = 2.653860962787778 (4.0158e-09% change) large trace change predicted (1.69534e-08%) linmin: converged after 3 iterations. iteration 406: trace = 2.653860962337859 (1.69534e-08% change) linmin: converged after 5 iterations. iteration 407: trace = 2.65386096216726 (6.42834e-09% change) linmin: converged after 4 iterations. iteration 408: trace = 2.653860962027792 (5.25527e-09% change) linmin: converged after 5 iterations. iteration 409: trace = 2.653860961826248 (7.59436e-09% change) linmin: converged after 4 iterations. iteration 410: trace = 2.653860961772891 (2.01057e-09% change) linmin: converged after 2 iterations. iteration 411: trace = 2.653860961684597 (3.32699e-09% change) linmin: converged after 2 iterations. iteration 412: trace = 2.653860961591689 (3.50086e-09% change) linmin: converged after 10 iterations. iteration 413: trace = 2.653860961504225 (3.29574e-09% change) linmin: converged after 2 iterations. iteration 414: trace = 2.653860961477462 (1.00842e-09% change) large trace change predicted (3.191e-09%) linmin: converged after 3 iterations. iteration 415: trace = 2.65386096139278 (3.19092e-09% change) linmin: converged after 5 iterations. iteration 416: trace = 2.653860961291134 (3.83011e-09% change) linmin: converged after 2 iterations. iteration 417: trace = 2.65386096126544 (9.68162e-10% change) large trace change predicted (7.29427e-09%) linmin: converged after 4 iterations. iteration 418: trace = 2.653860961071858 (7.29437e-09% change) large trace change predicted (1.7594e-08%) linmin: converged after 4 iterations. iteration 419: trace = 2.653860960604941 (1.75939e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.653860960370455 (8.83566e-09% change) linmin: converged after 2 iterations. iteration 421: trace = 2.653860960198253 (6.48874e-09% change) linmin: converged after 21 iterations. iteration 422: trace = 2.653860960167116 (1.17327e-09% change) large trace change predicted (3.09437e-09%) linmin: converged after 3 iterations. iteration 423: trace = 2.653860960084995 (3.0944e-09% change) linmin: converged after 4 iterations. iteration 424: trace = 2.653860960013617 (2.68959e-09% change) linmin: converged after 7 iterations. iteration 425: trace = 2.653860959986933 (1.00546e-09% change) large trace change predicted (2.6702e-09%) linmin: converged after 3 iterations. iteration 426: trace = 2.65386095991607 (2.67021e-09% change) linmin: converged after 4 iterations. iteration 427: trace = 2.653860959860684 (2.08698e-09% change) linmin: converged after 3 iterations. iteration 428: trace = 2.653860959833763 (1.01441e-09% change) large trace change predicted (2.39865e-09%) linmin: converged after 16 iterations. iteration 429: trace = 2.65386095977011 (2.39851e-09% change) linmin: converged after 5 iterations. iteration 430: trace = 2.653860959747119 (8.66321e-10% change) large trace change predicted (2.74524e-09%) linmin: converged after 3 iterations. iteration 431: trace = 2.653860959674266 (2.74516e-09% change) linmin: converged after 10 iterations. iteration 432: trace = 2.653860959588989 (3.21332e-09% change) linmin: converged after 2 iterations. iteration 433: trace = 2.653860959530663 (2.19779e-09% change) linmin: converged after 14 iterations. iteration 434: trace = 2.653860959457431 (2.75944e-09% change) large trace change predicted (6.03094e-09%) linmin: converged after 2 iterations. iteration 435: trace = 2.653860959297379 (6.03093e-09% change) linmin: converged after 4 iterations. iteration 436: trace = 2.653860959261755 (1.34234e-09% change) large trace change predicted (5.95206e-09%) linmin: converged after 2 iterations. iteration 437: trace = 2.653860959103795 (5.95208e-09% change) linmin: converged after 2 iterations. iteration 438: trace = 2.653860958958931 (5.45862e-09% change) linmin: converged after 2 iterations. iteration 439: trace = 2.653860958912051 (1.76646e-09% change) large trace change predicted (8.08147e-09%) linmin: converged after 2 iterations. iteration 440: trace = 2.65386095869758 (8.08149e-09% change) linmin: converged after 2 iterations. iteration 441: trace = 2.653860958533361 (6.18794e-09% change) linmin: converged after 7 iterations. iteration 442: trace = 2.65386095849144 (1.57959e-09% change) large trace change predicted (3.93801e-09%) linmin: converged after 4 iterations. iteration 443: trace = 2.653860958386931 (3.93799e-09% change) linmin: converged after 4 iterations. iteration 444: trace = 2.653860958306125 (3.04488e-09% change) linmin: converged after 6 iterations. iteration 445: trace = 2.653860958266864 (1.47938e-09% change) large trace change predicted (3.01116e-09%) linmin: converged after 3 iterations. iteration 446: trace = 2.653860958186951 (3.0112e-09% change) linmin: converged after 8 iterations. iteration 447: trace = 2.653860958170333 (6.26192e-10% change) large trace change predicted (1.37899e-09%) linmin: converged after 2 iterations. iteration 448: trace = 2.653860958133738 (1.37892e-09% change) linmin: converged after 10 iterations. iteration 449: trace = 2.653860958082532 (1.9295e-09% change) linmin: converged after 3 iterations. iteration 450: trace = 2.65386095804005 (1.60075e-09% change) linmin: converged after 9 iterations. iteration 451: trace = 2.653860958015944 (9.08356e-10% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860957972266 (1.64581e-09% change) linmin: converged after 3 iterations. iteration 453: trace = 2.653860957904773 (2.5432e-09% change) linmin: converged after 3 iterations. iteration 454: trace = 2.653860957871329 (1.2602e-09% change) linmin: converged after 4 iterations. iteration 455: trace = 2.653860957818474 (1.99165e-09% change) linmin: converged after 6 iterations. iteration 456: trace = 2.653860957735848 (3.11341e-09% change) linmin: converged after 4 iterations. iteration 457: trace = 2.653860957702848 (1.2435e-09% change) linmin: converged after 4 iterations. iteration 458: trace = 2.653860957638308 (2.43191e-09% change) linmin: converged after 8 iterations. iteration 459: trace = 2.653860957560628 (2.92708e-09% change) linmin: converged after 2 iterations. iteration 460: trace = 2.653860957531708 (1.08973e-09% change) large trace change predicted (2.46102e-09%) linmin: converged after 2 iterations. iteration 461: trace = 2.653860957466394 (2.46106e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957393536 (2.74536e-09% change) linmin: converged after 18 iterations. iteration 463: trace = 2.653860957377119 (6.18612e-10% change) large trace change predicted (1.85169e-09%) linmin: converged after 3 iterations. iteration 464: trace = 2.653860957327976 (1.85177e-09% change) linmin: converged after 4 iterations. iteration 465: trace = 2.653860957300655 (1.02947e-09% change) linmin: converged after 10 iterations. iteration 466: trace = 2.653860957292133 (3.2112e-10% change) large trace change predicted (7.46158e-10%) linmin: converged after 8 iterations. iteration 467: trace = 2.653860957272332 (7.46139e-10% change) linmin: converged after 7 iterations. iteration 468: trace = 2.653860957259428 (4.86198e-10% change) linmin: converged after 3 iterations. iteration 469: trace = 2.653860957253619 (2.18894e-10% change) large trace change predicted (4.44549e-10%) linmin: converged after 2 iterations. iteration 470: trace = 2.653860957241823 (4.44514e-10% change) linmin: converged after 4 iterations. iteration 471: trace = 2.653860957232905 (3.36013e-10% change) linmin: converged after 4 iterations. iteration 472: trace = 2.653860957225783 (2.68375e-10% change) linmin: converged after 5 iterations. iteration 473: trace = 2.653860957213009 (4.81328e-10% change) linmin: converged after 4 iterations. iteration 474: trace = 2.65386095720052 (4.70602e-10% change) linmin: converged after 4 iterations. iteration 475: trace = 2.653860957196531 (1.50302e-10% change) large trace change predicted (6.64849e-10%) linmin: converged after 2 iterations. iteration 476: trace = 2.653860957178889 (6.6478e-10% change) linmin: converged after 4 iterations. iteration 477: trace = 2.653860957170927 (3.00019e-10% change) linmin: converged after 9 iterations. iteration 478: trace = 2.653860957158197 (4.79688e-10% change) large trace change predicted (1.12394e-09%) linmin: converged after 3 iterations. iteration 479: trace = 2.653860957128371 (1.12387e-09% change) linmin: converged after 4 iterations. iteration 480: trace = 2.653860957116166 (4.59892e-10% change) linmin: converged after 4 iterations. iteration 481: trace = 2.653860957093896 (8.39128e-10% change) linmin: converged after 4 iterations. iteration 482: trace = 2.653860957069021 (9.37322e-10% change) linmin: converged after 4 iterations. iteration 483: trace = 2.653860957055294 (5.17272e-10% change) linmin: converged after 9 iterations. iteration 484: trace = 2.653860957039547 (5.93327e-10% change) linmin: converged after 4 iterations. iteration 485: trace = 2.65386095702135 (6.85697e-10% change) linmin: converged after 3 iterations. iteration 486: trace = 2.65386095701853 (1.06259e-10% change) large trace change predicted (2.82985e-10%) linmin: converged after 4 iterations. iteration 487: trace = 2.653860957011021 (2.82967e-10% change) linmin: converged after 7 iterations. iteration 488: trace = 2.653860957004527 (2.4468e-10% change) linmin: converged after 4 iterations. iteration 489: trace = 2.653860956997148 (2.78064e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.65386095699433 (1.06175e-10% change) linmin: converged after 6 iterations. iteration 491: trace = 2.653860956989114 (1.96537e-10% change) linmin: converged after 4 iterations. iteration 492: trace = 2.65386095698514 (1.49733e-10% change) linmin: converged after 4 iterations. iteration 493: trace = 2.653860956981597 (1.33501e-10% change) large trace change predicted (2.82445e-10%) linmin: converged after 5 iterations. iteration 494: trace = 2.653860956974102 (2.82431e-10% change) linmin: converged after 5 iterations. iteration 495: trace = 2.65386095697114 (1.11597e-10% change) large trace change predicted (4.19721e-10%) linmin: converged after 3 iterations. iteration 496: trace = 2.653860956960001 (4.19748e-10% change) linmin: converged after 3 iterations. iteration 497: trace = 2.653860956945782 (5.35796e-10% change) linmin: converged after 3 iterations. iteration 498: trace = 2.653860956940527 (1.9801e-10% change) large trace change predicted (5.24946e-10%) linmin: converged after 3 iterations. iteration 499: trace = 2.653860956926594 (5.24986e-10% change) linmin: converged after 3 iterations. iteration 500: trace = 2.653860956914805 (4.44246e-10% change) linmin: converged after 5 iterations. iteration 501: trace = 2.653860956911331 (1.30908e-10% change) large trace change predicted (4.01134e-10%) linmin: converged after 3 iterations. iteration 502: trace = 2.653860956900684 (4.01157e-10% change) linmin: converged after 5 iterations. iteration 503: trace = 2.653860956890372 (3.8859e-10% change) linmin: converged after 6 iterations. iteration 504: trace = 2.65386095688817 (8.29657e-11% change) Finished solving for bands 1 to 10 after 504 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: 5.601140975952148 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.767192159019986 (3.67886% change) linmin: converged after 5 iterations. iteration 2: trace = 2.669057526372485 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626076434928 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.58939758006899 (0.547985% change) linmin: converged after 8 iterations. iteration 5: trace = 2.564425810760814 (0.969058% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271019239869 (0.0840616% change) large trace change predicted (0.183585%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519485640814 (0.185614% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381218878423 (0.161939% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758195020362 (0.0635839% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676182658003 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042273669315 (0.0641287% change) linmin: converged after 5 iterations. iteration 12: trace = 2.545109446473655 (0.075914% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744910034234 (0.0536284% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493607842802 (0.00987971% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654903351715 (0.0329799% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233468267426 (0.016576% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989525214105 (0.00959608% change) large trace change predicted (0.0296918%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222917782322 (0.0301623% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916775521545 (0.0120478% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420166988775 (0.0195464% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069673700033 (0.0137976% change) linmin: converged after 3 iterations. iteration 22: trace = 2.53991321193668 (0.00615993% change) large trace change predicted (0.0132665%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574268356393 (0.0133456% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320183014408 (0.0100055% change) linmin: converged after 7 iterations. iteration 25: trace = 2.53919018153886 (0.00511967% change) large trace change predicted (0.0109149%) linmin: converged after 4 iterations. iteration 26: trace = 2.53891213101282 (0.010951% change) linmin: converged after 7 iterations. iteration 27: trace = 2.538826582262653 (0.00336956% change) large trace change predicted (0.00728289%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640946291776 (0.00731215% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538416137115203 (0.00885589% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329704079936 (0.00340506% change) large trace change predicted (0.0126405%) linmin: converged after 3 iterations. iteration 31: trace = 2.538007672637089 (0.0126876% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917271621735 (0.00356195% change) large trace change predicted (0.0118586%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615535621356 (0.0118898% change) linmin: converged after 6 iterations. iteration 34: trace = 2.537446656974839 (0.00665523% change) linmin: converged after 5 iterations. iteration 35: trace = 2.5373375070559 (0.00430166% change) large trace change predicted (0.0106117%) linmin: converged after 3 iterations. iteration 36: trace = 2.537068051218401 (0.0106202% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999453859795 (0.00270384% change) large trace change predicted (0.0111008%) linmin: converged after 3 iterations. iteration 38: trace = 2.5367174164385 (0.0111176% change) linmin: converged after 6 iterations. iteration 39: trace = 2.536633755868489 (0.00329804% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477844697715 (0.00614657% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329238785505 (0.00585892% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150223393508 (0.0070583% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989275401846 (0.00634636% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865729887258 (0.00487181% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703212894128 (0.00640894% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652248198588 (0.0020099% change) large trace change predicted (0.00754032%) linmin: converged after 3 iterations. iteration 47: trace = 2.535461098497881 (0.00753877% change) linmin: converged after 4 iterations. iteration 48: trace = 2.535421766292769 (0.0015513% change) large trace change predicted (0.00506173%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293488520408 (0.00505955% change) linmin: converged after 5 iterations. iteration 50: trace = 2.53521283609842 (0.00318124% change) linmin: converged after 3 iterations. iteration 51: trace = 2.535125083650656 (0.0034614% change) linmin: converged after 4 iterations. iteration 52: trace = 2.53495091547856 (0.00687044% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873131738241 (0.0030685% change) large trace change predicted (0.0086385%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655280499863 (0.00859454% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598391354413 (0.00224448% change) large trace change predicted (0.00574954%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453163358065 (0.00572999% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390127138227 (0.0024872% change) linmin: converged after 5 iterations. iteration 58: trace = 2.534330774897408 (0.0023419% change) linmin: converged after 5 iterations. iteration 59: trace = 2.534233980492163 (0.0038194% change) linmin: converged after 3 iterations. iteration 60: trace = 2.534207693045133 (0.0010373% change) large trace change predicted (0.00309751%) linmin: converged after 4 iterations. iteration 61: trace = 2.534129238492554 (0.00309587% change) linmin: converged after 5 iterations. iteration 62: trace = 2.534095684528778 (0.00132409% change) large trace change predicted (0.00285525%) linmin: converged after 6 iterations. iteration 63: trace = 2.534023394787052 (0.00285272% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533958016241606 (0.00258006% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883407095722 (0.00294442% change) linmin: converged after 4 iterations. iteration 66: trace = 2.53377261587404 (0.00437248% change) linmin: converged after 5 iterations. iteration 67: trace = 2.533730681431674 (0.00165503% change) linmin: converged after 3 iterations. iteration 68: trace = 2.533659168044918 (0.00282249% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617387889194 (0.00164902% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.53358852818086 (0.00113908% change) linmin: converged after 4 iterations. iteration 71: trace = 2.533564671711194 (0.000941612% change) linmin: converged after 4 iterations. iteration 72: trace = 2.533539626455692 (0.000988543% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522912330812 (0.000659717% change) large trace change predicted (0.00183846%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476253702313 (0.00184167% change) linmin: converged after 3 iterations. iteration 75: trace = 2.533464179329413 (0.000476594% change) large trace change predicted (0.00275235%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394204776606 (0.00276205% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360214623857 (0.00134169% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332276451004 (0.00110282% change) large trace change predicted (0.00246266%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269611781521 (0.00247364% change) linmin: converged after 3 iterations. iteration 80: trace = 2.533217630962727 (0.00205195% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191368781099 (0.00103672% change) large trace change predicted (0.00237283%) linmin: converged after 6 iterations. iteration 82: trace = 2.533131010791673 (0.00238271% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533113018471274 (0.000710282% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088880488864 (0.000952903% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060227319809 (0.00113116% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052350330981 (0.000310968% change) large trace change predicted (0.000755078%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033213309004 (0.000755495% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014450823782 (0.000740715% change) linmin: converged after 5 iterations. iteration 89: trace = 2.533001401431567 (0.000515174% change) linmin: converged after 4 iterations. iteration 90: trace = 2.53297623987658 (0.000993354% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972388899136 (0.000152034% change) large trace change predicted (0.000749689%) linmin: converged after 4 iterations. iteration 92: trace = 2.532953413330691 (0.000749145% change) linmin: converged after 5 iterations. iteration 93: trace = 2.532934954206907 (0.000728762% change) linmin: converged after 6 iterations. iteration 94: trace = 2.532926926102434 (0.000316949% change) large trace change predicted (0.00178262%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881953413839 (0.00177554% change) linmin: converged after 4 iterations. iteration 96: trace = 2.532858339935541 (0.000932281% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819825228598 (0.00152061% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786207717742 (0.00132728% change) linmin: converged after 5 iterations. iteration 99: trace = 2.532774327275015 (0.000469067% change) large trace change predicted (0.00101704%) linmin: converged after 4 iterations. iteration 100: trace = 2.532748612983668 (0.00101527% change) linmin: converged after 4 iterations. iteration 101: trace = 2.532735603506755 (0.000513652% change) linmin: converged after 4 iterations. iteration 102: trace = 2.532725968827241 (0.000380407% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712963522786 (0.000513492% change) linmin: converged after 5 iterations. iteration 104: trace = 2.532704580029566 (0.000331009% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697445603275 (0.000281692% change) large trace change predicted (0.000634865%) linmin: converged after 3 iterations. iteration 106: trace = 2.53268137394065 (0.000634569% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678266561998 (0.000122691% change) large trace change predicted (0.000365853%) linmin: converged after 3 iterations. iteration 108: trace = 2.532669002467612 (0.000365783% change) linmin: converged after 3 iterations. iteration 109: trace = 2.53266259954612 (0.000252814% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659616949371 (0.000117765% change) large trace change predicted (0.000484653%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647338494086 (0.000484806% change) linmin: converged after 4 iterations. iteration 112: trace = 2.532643037294312 (0.00016983% change) large trace change predicted (0.00119125%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612848963625 (0.00119198% change) linmin: converged after 4 iterations. iteration 114: trace = 2.532592071208697 (0.000820411% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581469960602 (0.000418594% change) large trace change predicted (0.00102425%) linmin: converged after 3 iterations. iteration 116: trace = 2.53255550007733 (0.00102544% change) linmin: converged after 8 iterations. iteration 117: trace = 2.532535106996981 (0.00080524% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524471877335 (0.000419941% change) large trace change predicted (0.000839989%) linmin: converged after 3 iterations. iteration 119: trace = 2.532503194841878 (0.000840155% change) linmin: converged after 3 iterations. iteration 120: trace = 2.532499383717189 (0.000150489% change) large trace change predicted (0.000429132%) linmin: converged after 3 iterations. iteration 121: trace = 2.53248851382787 (0.000429217% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482095682243 (0.000253433% change) linmin: converged after 4 iterations. iteration 123: trace = 2.532479993589728 (8.30053e-05% change) large trace change predicted (0.000283689%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472805622764 (0.000283832% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467471222502 (0.00021064% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465651192915 (7.18679e-05% change) large trace change predicted (0.000445628%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454348281197 (0.000446321% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452190451635 (8.52071e-05% change) large trace change predicted (0.00032449%) linmin: converged after 5 iterations. iteration 129: trace = 2.532443966801803 (0.000324731% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532434253563636 (0.000383553% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431657293005 (0.000102521% change) large trace change predicted (0.000505531%) linmin: converged after 5 iterations. iteration 132: trace = 2.532418838101214 (0.000506202% change) linmin: converged after 5 iterations. iteration 133: trace = 2.532413354534517 (0.000216535% change) large trace change predicted (0.000483279%) linmin: converged after 13 iterations. iteration 134: trace = 2.532401111217703 (0.000483466% change) linmin: converged after 4 iterations. iteration 135: trace = 2.532386158844829 (0.000590444% change) linmin: converged after 4 iterations. iteration 136: trace = 2.532381543712002 (0.000182245% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372872163757 (0.000342427% change) linmin: converged after 3 iterations. iteration 138: trace = 2.532367990784487 (0.000192759% change) linmin: converged after 3 iterations. iteration 139: trace = 2.53236669179838 (5.12953e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.532365682527186 (3.98549e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.532363841803709 (7.26879e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.532361028322762 (0.000111101% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359823087659 (4.75933e-05% change) large trace change predicted (0.000180821%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355244584487 (0.0001808% change) linmin: converged after 3 iterations. iteration 145: trace = 2.53235241014993 (0.000111929% change) linmin: converged after 4 iterations. iteration 146: trace = 2.532349383119357 (0.000119534% change) linmin: converged after 5 iterations. iteration 147: trace = 2.532343660135532 (0.000225995% change) linmin: converged after 3 iterations. iteration 148: trace = 2.532342296084239 (5.38652e-05% change) large trace change predicted (0.000211117%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336951606947 (0.000211049% change) linmin: converged after 5 iterations. iteration 150: trace = 2.532333395068899 (0.000140445% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332061165431 (5.26749e-05% change) large trace change predicted (0.000151537%) linmin: converged after 3 iterations. iteration 152: trace = 2.532328226175538 (0.000151441% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325489263228 (0.000108079% change) linmin: converged after 5 iterations. iteration 154: trace = 2.532323600209616 (7.45976e-05% change) linmin: converged after 6 iterations. iteration 155: trace = 2.532320458733522 (0.000124055% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319680990742 (3.07127e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.532318509925275 (4.62448e-05% change) linmin: converged after 5 iterations. iteration 158: trace = 2.532316954353896 (6.14288e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.532316583164372 (1.46581e-05% change) large trace change predicted (5.34278e-05%) linmin: converged after 5 iterations. iteration 160: trace = 2.532315230115695 (5.34313e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.53231434423313 (3.49831e-05% change) linmin: converged after 2 iterations. iteration 162: trace = 2.532313520270839 (3.25379e-05% change) large trace change predicted (8.53668e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311358606356 (8.53633e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.532309837784141 (6.00567e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.532308439439884 (5.52201e-05% change) large trace change predicted (0.000170387%) linmin: converged after 4 iterations. iteration 166: trace = 2.532304123976063 (0.000170416% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303077913711 (4.13087e-05% change) large trace change predicted (0.000114298%) linmin: converged after 3 iterations. iteration 168: trace = 2.532300183034826 (0.000114318% change) linmin: converged after 5 iterations. iteration 169: trace = 2.532297893874077 (9.03985e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297157577363 (2.90762e-05% change) large trace change predicted (6.50711e-05%) linmin: converged after 4 iterations. iteration 171: trace = 2.532295510101988 (6.50586e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.532293008216412 (9.87992e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.532292313989074 (2.7415e-05% change) large trace change predicted (8.51958e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.532290156332 (8.52057e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289642600863 (2.02872e-05% change) large trace change predicted (4.89419e-05%) linmin: converged after 5 iterations. iteration 176: trace = 2.532288403414912 (4.89354e-05% change) linmin: converged after 3 iterations. iteration 177: trace = 2.53228768562376 (2.83456e-05% change) linmin: converged after 10 iterations. iteration 178: trace = 2.532287397270025 (1.13871e-05% change) large trace change predicted (4.22155e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286328117865 (4.22208e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.532285476478259 (3.36313e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.532284517519898 (3.78693e-05% change) large trace change predicted (0.000115907%) linmin: converged after 5 iterations. iteration 182: trace = 2.532281579491601 (0.000116023% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280701683755 (3.46647e-05% change) large trace change predicted (0.000114509%) linmin: converged after 5 iterations. iteration 184: trace = 2.532277798422058 (0.00011465% change) linmin: converged after 5 iterations. iteration 185: trace = 2.532274816346589 (0.000117763% change) linmin: converged after 3 iterations. iteration 186: trace = 2.532273834326066 (3.87802e-05% change) large trace change predicted (9.12342e-05%) linmin: converged after 3 iterations. iteration 187: trace = 2.532271521932254 (9.13169e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.532268940848291 (0.000101928% change) linmin: converged after 3 iterations. iteration 189: trace = 2.532268209643233 (2.88755e-05% change) large trace change predicted (0.000110313%) linmin: converged after 5 iterations. iteration 190: trace = 2.532265415570175 (0.000110339% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264808961645 (2.39552e-05% change) large trace change predicted (5.45372e-05%) linmin: converged after 5 iterations. iteration 192: trace = 2.532263427781917 (5.45433e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262446034239 (3.87696e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.532262094467759 (1.38835e-05% change) large trace change predicted (4.61486e-05%) linmin: converged after 3 iterations. iteration 195: trace = 2.532260926051053 (4.61412e-05% change) linmin: converged after 5 iterations. iteration 196: trace = 2.532259837908805 (4.29712e-05% change) linmin: converged after 4 iterations. iteration 197: trace = 2.532259092429445 (2.94393e-05% change) linmin: converged after 5 iterations. iteration 198: trace = 2.532257722845277 (5.40855e-05% change) linmin: converged after 5 iterations. iteration 199: trace = 2.532257269863603 (1.78885e-05% change) large trace change predicted (4.65755e-05%) linmin: converged after 6 iterations. iteration 200: trace = 2.532256091264467 (4.65434e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.532254579429455 (5.97031e-05% change) linmin: converged after 7 iterations. iteration 202: trace = 2.532254033263817 (2.15684e-05% change) large trace change predicted (7.89229e-05%) linmin: converged after 5 iterations. iteration 203: trace = 2.532252036597062 (7.88494e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.532250587017967 (5.72447e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.532249020849589 (6.18489e-05% change) linmin: converged after 14 iterations. iteration 206: trace = 2.532247443858919 (6.22763e-05% change) linmin: converged after 9 iterations. iteration 207: trace = 2.532246959302396 (1.91354e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.53224641014044 (2.16867e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.532245342773345 (4.2151e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.532245143328931 (7.87619e-06% change) large trace change predicted (1.82456e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.532244681309207 (1.82455e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.532244539687213 (5.59275e-06% change) large trace change predicted (2.34124e-05%) linmin: converged after 8 iterations. iteration 213: trace = 2.532243946822453 (2.34126e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.532243390944941 (2.1952e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243150705558 (9.48722e-06% change) large trace change predicted (3.0153e-05%) linmin: converged after 5 iterations. iteration 216: trace = 2.532242386945004 (3.01614e-05% change) linmin: converged after 5 iterations. iteration 217: trace = 2.532241677928285 (2.79996e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.532241316182574 (1.42856e-05% change) large trace change predicted (3.47229e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.532240436552264 (3.47372e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.532239981711625 (1.7962e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239605612446 (1.48524e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.532238901699789 (2.7798e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.53223860450291 (1.17365e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.532238129661233 (1.87519e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.532237573610522 (2.19589e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.532237484238497 (3.52937e-06% change) large trace change predicted (1.41184e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.532237126716919 (1.41188e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532236903016083 (8.83412e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 2.532236769554195 (5.27051e-06% change) large trace change predicted (1.12957e-05%) linmin: converged after 3 iterations. iteration 230: trace = 2.532236483544579 (1.12947e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.532236150839124 (1.31388e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.532236031351882 (4.71865e-06% change) large trace change predicted (1.73928e-05%) linmin: converged after 4 iterations. iteration 233: trace = 2.53223559103862 (1.73883e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.532235293766007 (1.17395e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.532235072133181 (8.75246e-06% change) large trace change predicted (2.32672e-05%) linmin: converged after 5 iterations. iteration 236: trace = 2.532234483331774 (2.32522e-05% change) linmin: converged after 5 iterations. iteration 237: trace = 2.53223434386539 (5.50764e-06% change) large trace change predicted (1.98391e-05%) linmin: converged after 3 iterations. iteration 238: trace = 2.532233841756158 (1.98287e-05% change) linmin: converged after 9 iterations. iteration 239: trace = 2.532233658109648 (7.25235e-06% change) linmin: converged after 8 iterations. iteration 240: trace = 2.532233575889002 (3.24696e-06% change) large trace change predicted (8.19451e-06%) linmin: converged after 3 iterations. iteration 241: trace = 2.532233368424982 (8.19293e-06% change) linmin: converged after 4 iterations. iteration 242: trace = 2.532233273346272 (3.75474e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.53223318088682 (3.6513e-06% change) linmin: converged after 4 iterations. iteration 244: trace = 2.532233008979814 (6.78875e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.532232924478569 (3.33702e-06% change) linmin: converged after 4 iterations. iteration 246: trace = 2.532232825850518 (3.8949e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.532232678192051 (5.83116e-06% change) linmin: converged after 4 iterations. iteration 248: trace = 2.532232639741691 (1.51844e-06% change) large trace change predicted (5.02386e-06%) linmin: converged after 6 iterations. iteration 249: trace = 2.532232512535478 (5.02348e-06% change) linmin: converged after 4 iterations. iteration 250: trace = 2.532232424545742 (3.47479e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.532232338923658 (3.38129e-06% change) large trace change predicted (1.15075e-05%) linmin: converged after 5 iterations. iteration 252: trace = 2.532232047542556 (1.15069e-05% change) linmin: converged after 6 iterations. iteration 253: trace = 2.532231984524234 (2.48865e-06% change) large trace change predicted (1.34032e-05%) linmin: converged after 21 iterations. iteration 254: trace = 2.532231645126664 (1.34031e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.532231404457028 (9.50425e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.532231334981385 (2.74365e-06% change) linmin: converged after 4 iterations. iteration 257: trace = 2.532231216946861 (4.66129e-06% change) linmin: converged after 11 iterations. iteration 258: trace = 2.532231078434015 (5.46999e-06% change) linmin: converged after 5 iterations. iteration 259: trace = 2.532231046461146 (1.26264e-06% change) large trace change predicted (3.80456e-06%) linmin: converged after 2 iterations. iteration 260: trace = 2.532230950117918 (3.80468e-06% change) linmin: converged after 2 iterations. iteration 261: trace = 2.532230888508582 (2.43301e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.532230862788966 (1.01569e-06% change) large trace change predicted (3.25981e-06%) linmin: converged after 5 iterations. iteration 263: trace = 2.532230780238848 (3.25998e-06% change) linmin: converged after 6 iterations. iteration 264: trace = 2.532230717184458 (2.49007e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 2.53223067440006 (1.68959e-06% change) large trace change predicted (5.67961e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230530564059 (5.68021e-06% change) linmin: converged after 5 iterations. iteration 267: trace = 2.532230494906736 (1.40814e-06% change) large trace change predicted (7.25066e-06%) linmin: converged after 4 iterations. iteration 268: trace = 2.532230311269968 (7.25198e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.532230221299274 (3.55302e-06% change) linmin: converged after 5 iterations. iteration 270: trace = 2.532230172834009 (1.91394e-06% change) large trace change predicted (5.69674e-06%) linmin: converged after 5 iterations. iteration 271: trace = 2.532230028569092 (5.69715e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.532229931690873 (3.82581e-06% change) linmin: converged after 3 iterations. iteration 273: trace = 2.532229799063637 (5.23757e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.532229667858001 (5.18143e-06% change) linmin: converged after 3 iterations. iteration 275: trace = 2.532229633751901 (1.34688e-06% change) large trace change predicted (4.13606e-06%) linmin: converged after 4 iterations. iteration 276: trace = 2.532229529015878 (4.13612e-06% change) linmin: converged after 13 iterations. iteration 277: trace = 2.532229483300715 (1.80533e-06% change) linmin: converged after 11 iterations. iteration 278: trace = 2.532229460209667 (9.11886e-07% change) large trace change predicted (2.96483e-06%) linmin: converged after 13 iterations. iteration 279: trace = 2.53222938513469 (2.96478e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.532229342905384 (1.66767e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.532229325699798 (6.79464e-07% change) large trace change predicted (1.79048e-06%) linmin: converged after 4 iterations. iteration 282: trace = 2.532229280359251 (1.79054e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229254806672 (1.00909e-06% change) large trace change predicted (2.04075e-06%) linmin: converged after 5 iterations. iteration 284: trace = 2.532229203129821 (2.04077e-06% change) linmin: converged after 5 iterations. iteration 285: trace = 2.532229119327314 (3.30944e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.532229099522024 (7.82129e-07% change) large trace change predicted (3.53526e-06%) linmin: converged after 5 iterations. iteration 287: trace = 2.532229009999822 (3.53531e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.53222892380892 (3.40376e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.532228880988057 (1.69103e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.532228813597406 (2.66132e-06% change) linmin: converged after 6 iterations. iteration 291: trace = 2.532228768849083 (1.76715e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.532228729755123 (1.54386e-06% change) linmin: converged after 6 iterations. iteration 293: trace = 2.532228655517176 (2.93172e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228637932051 (6.94452e-07% change) large trace change predicted (2.43621e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.53222857624545 (2.43606e-06% change) linmin: converged after 9 iterations. iteration 296: trace = 2.53222854833279 (1.1023e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228536864439 (4.52896e-07% change) large trace change predicted (1.02043e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.532228511025363 (1.02041e-06% change) linmin: converged after 2 iterations. iteration 299: trace = 2.532228495192651 (6.25248e-07% change) linmin: converged after 4 iterations. iteration 300: trace = 2.532228470611672 (9.70725e-07% change) linmin: converged after 15 iterations. iteration 301: trace = 2.532228424251884 (1.83079e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.532228411102146 (5.19295e-07% change) large trace change predicted (2.05014e-06%) linmin: converged after 4 iterations. iteration 303: trace = 2.532228359190297 (2.05005e-06% change) linmin: converged after 6 iterations. iteration 304: trace = 2.532228302687084 (2.23136e-06% change) linmin: converged after 4 iterations. iteration 305: trace = 2.532228276805138 (1.0221e-06% change) large trace change predicted (2.63525e-06%) linmin: converged after 14 iterations. iteration 306: trace = 2.532228210077465 (2.63514e-06% change) linmin: converged after 7 iterations. iteration 307: trace = 2.532228138150536 (2.84046e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.532228113188025 (9.85792e-07% change) linmin: converged after 2 iterations. iteration 309: trace = 2.532228085291477 (1.10166e-06% change) linmin: converged after 19 iterations. iteration 310: trace = 2.532228059244682 (1.02861e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.532228045385315 (5.47319e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.532228023894082 (8.48708e-07% change) linmin: converged after 2 iterations. iteration 313: trace = 2.532227986676395 (1.46976e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.532227978466176 (3.24229e-07% change) large trace change predicted (1.71207e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.532227935111003 (1.71214e-06% change) linmin: converged after 5 iterations. iteration 316: trace = 2.532227922468166 (4.99277e-07% change) large trace change predicted (1.27969e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.532227890061429 (1.27977e-06% change) linmin: converged after 5 iterations. iteration 318: trace = 2.532227850701669 (1.55435e-06% change) linmin: converged after 5 iterations. iteration 319: trace = 2.532227839354969 (4.48092e-07% change) large trace change predicted (1.90064e-06%) linmin: converged after 4 iterations. iteration 320: trace = 2.532227791222124 (1.90081e-06% change) linmin: converged after 5 iterations. iteration 321: trace = 2.532227719836212 (2.8191e-06% change) linmin: converged after 7 iterations. iteration 322: trace = 2.532227684782396 (1.38431e-06% change) linmin: converged after 14 iterations. iteration 323: trace = 2.532227644306898 (1.59841e-06% change) linmin: converged after 12 iterations. iteration 324: trace = 2.53222759011966 (2.1399e-06% change) linmin: converged after 5 iterations. iteration 325: trace = 2.532227575345894 (5.8343e-07% change) linmin: converged after 4 iterations. iteration 326: trace = 2.532227546518735 (1.13841e-06% change) linmin: converged after 16 iterations. iteration 327: trace = 2.532227515987617 (1.2057e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.532227507795859 (3.235e-07% change) large trace change predicted (1.0937e-06%) linmin: converged after 4 iterations. iteration 329: trace = 2.53222748010104 (1.09369e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.532227471830122 (3.26626e-07% change) large trace change predicted (1.14561e-06%) linmin: converged after 5 iterations. iteration 331: trace = 2.532227442821489 (1.14558e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.532227422473 (8.03581e-07% change) linmin: converged after 4 iterations. iteration 333: trace = 2.532227413333456 (3.60929e-07% change) large trace change predicted (1.45115e-06%) linmin: converged after 4 iterations. iteration 334: trace = 2.532227376589899 (1.45104e-06% change) linmin: converged after 8 iterations. iteration 335: trace = 2.53222731339783 (2.49551e-06% change) linmin: converged after 7 iterations. iteration 336: trace = 2.532227302633058 (4.25111e-07% change) large trace change predicted (2.1634e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.532227247857538 (2.16314e-06% change) linmin: converged after 6 iterations. iteration 338: trace = 2.53222722438101 (9.2711e-07% change) linmin: converged after 3 iterations. iteration 339: trace = 2.532227210429155 (5.50972e-07% change) large trace change predicted (1.38309e-06%) linmin: converged after 4 iterations. iteration 340: trace = 2.532227175407808 (1.38303e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.532227154599435 (8.21742e-07% change) linmin: converged after 6 iterations. iteration 342: trace = 2.532227141281568 (5.25935e-07% change) large trace change predicted (1.09987e-06%) linmin: converged after 4 iterations. iteration 343: trace = 2.532227113431144 (1.09984e-06% change) linmin: converged after 5 iterations. iteration 344: trace = 2.532227108391151 (1.99034e-07% change) large trace change predicted (8.13193e-07%) linmin: converged after 3 iterations. iteration 345: trace = 2.532227087799646 (8.13178e-07% change) linmin: converged after 5 iterations. iteration 346: trace = 2.532227079977186 (3.08916e-07% change) linmin: converged after 9 iterations. iteration 347: trace = 2.532227070435789 (3.76799e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227062331401 (3.2005e-07% change) large trace change predicted (1.18616e-06%) linmin: converged after 5 iterations. iteration 349: trace = 2.532227032294627 (1.18618e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.53222702369893 (3.39452e-07% change) linmin: converged after 6 iterations. iteration 351: trace = 2.532227008605731 (5.96044e-07% change) linmin: converged after 9 iterations. iteration 352: trace = 2.532227001931147 (2.63586e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.532226996952374 (1.96616e-07% change) linmin: converged after 6 iterations. iteration 354: trace = 2.532226988235279 (3.44246e-07% change) linmin: converged after 21 iterations. iteration 355: trace = 2.532226982417968 (2.29731e-07% change) large trace change predicted (4.60843e-07%) linmin: converged after 4 iterations. iteration 356: trace = 2.532226970748206 (4.6085e-07% change) linmin: converged after 3 iterations. iteration 357: trace = 2.53222695389305 (6.65626e-07% change) linmin: converged after 5 iterations. iteration 358: trace = 2.532226949646643 (1.67695e-07% change) large trace change predicted (5.32794e-07%) linmin: converged after 18 iterations. iteration 359: trace = 2.532226936154717 (5.32809e-07% change) linmin: converged after 10 iterations. iteration 360: trace = 2.532226919676578 (6.50737e-07% change) linmin: converged after 21 iterations. iteration 361: trace = 2.532226915359861 (1.70471e-07% change) large trace change predicted (5.50427e-07%) linmin: converged after 2 iterations. iteration 362: trace = 2.532226901421466 (5.5044e-07% change) linmin: converged after 6 iterations. iteration 363: trace = 2.532226886396474 (5.93351e-07% change) linmin: converged after 5 iterations. iteration 364: trace = 2.53222687739755 (3.55376e-07% change) large trace change predicted (7.44874e-07%) linmin: converged after 6 iterations. iteration 365: trace = 2.532226858534718 (7.44911e-07% change) linmin: converged after 4 iterations. iteration 366: trace = 2.532226855153477 (1.33528e-07% change) large trace change predicted (3.77987e-07%) linmin: converged after 4 iterations. iteration 367: trace = 2.532226845581727 (3.77997e-07% change) linmin: converged after 21 iterations. iteration 368: trace = 2.53222683842143 (2.82767e-07% change) linmin: converged after 9 iterations. iteration 369: trace = 2.532226836201043 (8.76852e-08% change) large trace change predicted (3.1837e-07%) linmin: converged after 5 iterations. iteration 370: trace = 2.532226828139152 (3.18372e-07% change) linmin: converged after 7 iterations. iteration 371: trace = 2.532226822942543 (2.05219e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226819045851 (1.53884e-07% change) linmin: converged after 20 iterations. iteration 373: trace = 2.53222681248756 (2.58993e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226806914273 (2.20094e-07% change) linmin: converged after 6 iterations. iteration 375: trace = 2.53222680082088 (2.40634e-07% change) linmin: converged after 3 iterations. iteration 376: trace = 2.532226795397916 (2.14158e-07% change) linmin: converged after 6 iterations. iteration 377: trace = 2.532226786021311 (3.70291e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226783699067 (9.17076e-08% change) large trace change predicted (3.72599e-07%) linmin: converged after 8 iterations. iteration 379: trace = 2.532226774264748 (3.7257e-07% change) linmin: converged after 8 iterations. iteration 380: trace = 2.532226769105345 (2.0375e-07% change) linmin: converged after 14 iterations. iteration 381: trace = 2.532226765095902 (1.58337e-07% change) linmin: converged after 5 iterations. iteration 382: trace = 2.532226760034983 (1.9986e-07% change) linmin: converged after 15 iterations. iteration 383: trace = 2.532226755806915 (1.6697e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.532226753016267 (1.10205e-07% change) linmin: converged after 4 iterations. iteration 385: trace = 2.532226747435903 (2.20374e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226746083189 (5.34199e-08% change) large trace change predicted (1.45231e-07%) linmin: converged after 15 iterations. iteration 387: trace = 2.532226742405635 (1.4523e-07% change) linmin: converged after 7 iterations. iteration 388: trace = 2.532226739741934 (1.05192e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.532226738677049 (4.20533e-08% change) large trace change predicted (1.13526e-07%) linmin: converged after 17 iterations. iteration 390: trace = 2.532226735802361 (1.13524e-07% change) linmin: converged after 6 iterations. iteration 391: trace = 2.532226732531473 (1.2917e-07% change) linmin: converged after 6 iterations. iteration 392: trace = 2.53222673179689 (2.90094e-08% change) large trace change predicted (2.1791e-07%) linmin: converged after 25 iterations. iteration 393: trace = 2.532226726278886 (2.17911e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.532226724260097 (7.97239e-08% change) linmin: converged after 16 iterations. iteration 395: trace = 2.532226720649931 (1.42569e-07% change) linmin: converged after 7 iterations. iteration 396: trace = 2.532226714840615 (2.29415e-07% change) linmin: converged after 10 iterations. iteration 397: trace = 2.532226712755645 (8.23374e-08% change) linmin: converged after 5 iterations. iteration 398: trace = 2.53222670986136 (1.14298e-07% change) linmin: converged after 10 iterations. iteration 399: trace = 2.532226706840512 (1.19296e-07% change) linmin: converged after 4 iterations. iteration 400: trace = 2.532226706039842 (3.16192e-08% change) large trace change predicted (8.84231e-08%) linmin: converged after 10 iterations. iteration 401: trace = 2.532226703800772 (8.8423e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.532226702460829 (5.29156e-08% change) linmin: converged after 7 iterations. iteration 403: trace = 2.532226701700643 (3.00205e-08% change) linmin: converged after 19 iterations. iteration 404: trace = 2.532226700204044 (5.91021e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.532226697234277 (1.17279e-07% change) linmin: converged after 4 iterations. iteration 406: trace = 2.532226696783406 (1.78053e-08% change) large trace change predicted (1.14503e-07%) linmin: converged after 6 iterations. iteration 407: trace = 2.532226693883926 (1.14503e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.532226692850378 (4.08158e-08% change) large trace change predicted (8.25098e-08%) linmin: converged after 11 iterations. iteration 409: trace = 2.5322266907611 (8.25075e-08% change) linmin: converged after 7 iterations. iteration 410: trace = 2.532226687895342 (1.13171e-07% change) linmin: converged after 6 iterations. iteration 411: trace = 2.532226686059612 (7.24947e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.532226683392567 (1.05324e-07% change) linmin: converged after 6 iterations. iteration 413: trace = 2.532226680338942 (1.20591e-07% change) linmin: converged after 4 iterations. iteration 414: trace = 2.532226678958487 (5.45155e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.532226676676312 (9.01252e-08% change) linmin: converged after 4 iterations. iteration 416: trace = 2.53222667456458 (8.33943e-08% change) linmin: converged after 8 iterations. iteration 417: trace = 2.532226673615198 (3.7492e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.532226672873009 (2.93097e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.532226671542989 (5.25237e-08% change) resetting CG direction... linmin: converged after 7 iterations. iteration 420: trace = 2.532226671231741 (1.22915e-08% change) large trace change predicted (3.56279e-08%) linmin: converged after 6 iterations. iteration 421: trace = 2.532226670329563 (3.56279e-08% change) linmin: converged after 2 iterations. iteration 422: trace = 2.532226669679557 (2.56693e-08% change) linmin: converged after 7 iterations. iteration 423: trace = 2.532226668808769 (3.43882e-08% change) linmin: converged after 4 iterations. iteration 424: trace = 2.532226667135932 (6.60619e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226666383119 (2.97293e-08% change) large trace change predicted (6.83109e-08%) linmin: converged after 6 iterations. iteration 426: trace = 2.532226664653341 (6.83106e-08% change) linmin: converged after 6 iterations. iteration 427: trace = 2.532226662732385 (7.58603e-08% change) linmin: converged after 4 iterations. iteration 428: trace = 2.532226662162997 (2.24857e-08% change) large trace change predicted (9.91876e-08%) linmin: converged after 25 iterations. iteration 429: trace = 2.532226659651375 (9.91863e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.532226658336527 (5.19246e-08% change) linmin: converged after 8 iterations. iteration 431: trace = 2.532226657422805 (3.60838e-08% change) linmin: converged after 22 iterations. iteration 432: trace = 2.532226656025229 (5.51916e-08% change) linmin: converged after 4 iterations. iteration 433: trace = 2.532226655017528 (3.97951e-08% change) linmin: converged after 4 iterations. iteration 434: trace = 2.532226654396423 (2.4528e-08% change) large trace change predicted (5.8935e-08%) linmin: converged after 6 iterations. iteration 435: trace = 2.532226652904078 (5.89341e-08% change) linmin: converged after 7 iterations. iteration 436: trace = 2.532226652599371 (1.20332e-08% change) large trace change predicted (2.46702e-08%) linmin: converged after 23 iterations. iteration 437: trace = 2.532226651974669 (2.46701e-08% change) linmin: converged after 6 iterations. iteration 438: trace = 2.532226651337591 (2.51588e-08% change) linmin: converged after 5 iterations. iteration 439: trace = 2.532226651137216 (7.91297e-09% change) large trace change predicted (3.15292e-08%) linmin: converged after 6 iterations. iteration 440: trace = 2.532226650338838 (3.15287e-08% change) linmin: converged after 6 iterations. iteration 441: trace = 2.53222664959627 (2.93247e-08% change) linmin: converged after 6 iterations. iteration 442: trace = 2.532226648807302 (3.11571e-08% change) linmin: converged after 17 iterations. iteration 443: trace = 2.532226647264132 (6.09412e-08% change) linmin: converged after 5 iterations. iteration 444: trace = 2.532226646674918 (2.32686e-08% change) large trace change predicted (7.29658e-08%) linmin: converged after 4 iterations. iteration 445: trace = 2.532226644827252 (7.29661e-08% change) linmin: converged after 8 iterations. iteration 446: trace = 2.53222664339419 (5.6593e-08% change) linmin: converged after 5 iterations. iteration 447: trace = 2.532226641715541 (6.62914e-08% change) linmin: converged after 5 iterations. iteration 448: trace = 2.532226641080117 (2.50935e-08% change) linmin: converged after 28 iterations. iteration 449: trace = 2.532226640532682 (2.16187e-08% change) linmin: converged after 27 iterations. iteration 450: trace = 2.532226639627927 (3.57296e-08% change) linmin: converged after 6 iterations. iteration 451: trace = 2.532226639377521 (9.88876e-09% change) large trace change predicted (2.46144e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.532226638754239 (2.4614e-08% change) linmin: converged after 3 iterations. iteration 453: trace = 2.532226637711816 (4.11663e-08% change) linmin: converged after 4 iterations. iteration 454: trace = 2.532226637487078 (8.8751e-09% change) large trace change predicted (4.50795e-08%) linmin: converged after 4 iterations. iteration 455: trace = 2.532226636345557 (4.50798e-08% change) linmin: converged after 6 iterations. iteration 456: trace = 2.532226636094778 (9.90348e-09% change) large trace change predicted (4.4409e-08%) linmin: converged after 8 iterations. iteration 457: trace = 2.532226634970231 (4.44094e-08% change) linmin: converged after 13 iterations. iteration 458: trace = 2.532226634065555 (3.57265e-08% change) linmin: converged after 6 iterations. iteration 459: trace = 2.532226633640904 (1.67698e-08% change) large trace change predicted (4.83562e-08%) linmin: converged after 10 iterations. iteration 460: trace = 2.532226632416391 (4.83572e-08% change) linmin: converged after 22 iterations. iteration 461: trace = 2.53222663125078 (4.60311e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.532226630577876 (2.65736e-08% change) large trace change predicted (5.96071e-08%) linmin: converged after 8 iterations. iteration 463: trace = 2.532226629068456 (5.96084e-08% change) linmin: converged after 17 iterations. iteration 464: trace = 2.532226627941236 (4.4515e-08% change) linmin: converged after 6 iterations. iteration 465: trace = 2.532226627493969 (1.7663e-08% change) linmin: converged after 15 iterations. iteration 466: trace = 2.532226626761016 (2.8945e-08% change) linmin: converged after 5 iterations. iteration 467: trace = 2.532226626033405 (2.8734e-08% change) linmin: converged after 4 iterations. iteration 468: trace = 2.532226625842119 (7.55407e-09% change) large trace change predicted (2.33097e-08%) linmin: converged after 4 iterations. iteration 469: trace = 2.532226625251865 (2.33097e-08% change) linmin: converged after 10 iterations. iteration 470: trace = 2.532226624559476 (2.73431e-08% change) linmin: converged after 7 iterations. iteration 471: trace = 2.532226624332442 (8.96578e-09% change) large trace change predicted (2.82629e-08%) linmin: converged after 32 iterations. iteration 472: trace = 2.532226623616767 (2.82627e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.532226623105627 (2.01854e-08% change) linmin: converged after 4 iterations. iteration 474: trace = 2.532226622796913 (1.21914e-08% change) large trace change predicted (5.16206e-08%) linmin: converged after 4 iterations. iteration 475: trace = 2.532226621489766 (5.16205e-08% change) linmin: converged after 6 iterations. iteration 476: trace = 2.532226621239166 (9.89643e-09% change) large trace change predicted (5.03109e-08%) linmin: converged after 12 iterations. iteration 477: trace = 2.532226619965215 (5.03095e-08% change) linmin: converged after 5 iterations. iteration 478: trace = 2.532226619397769 (2.2409e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.532226619089716 (1.21653e-08% change) large trace change predicted (3.4517e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226618215689 (3.45161e-08% change) linmin: converged after 7 iterations. iteration 481: trace = 2.532226617616659 (2.36563e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226617424969 (7.57001e-09% change) large trace change predicted (2.0739e-08%) linmin: converged after 6 iterations. iteration 483: trace = 2.532226616899818 (2.07387e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226616438289 (1.82262e-08% change) linmin: converged after 3 iterations. iteration 485: trace = 2.532226616331745 (4.20753e-09% change) large trace change predicted (1.4979e-08%) linmin: converged after 3 iterations. iteration 486: trace = 2.532226615952449 (1.49788e-08% change) linmin: converged after 24 iterations. iteration 487: trace = 2.532226615841868 (4.36694e-09% change) linmin: converged after 4 iterations. iteration 488: trace = 2.532226615685847 (6.16141e-09% change) large trace change predicted (1.99077e-08%) linmin: converged after 4 iterations. iteration 489: trace = 2.532226615181731 (1.9908e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226615001278 (7.12626e-09% change) linmin: converged after 7 iterations. iteration 491: trace = 2.53222661469482 (1.21023e-08% change) linmin: converged after 16 iterations. iteration 492: trace = 2.53222661452424 (6.7364e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.532226614443521 (3.18765e-09% change) large trace change predicted (1.03691e-08%) linmin: converged after 2 iterations. iteration 494: trace = 2.532226614180958 (1.03689e-08% change) linmin: converged after 4 iterations. iteration 495: trace = 2.532226613967719 (8.421e-09% change) linmin: converged after 6 iterations. iteration 496: trace = 2.53222661374731 (8.70418e-09% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226613341673 (1.6019e-08% change) linmin: converged after 15 iterations. iteration 498: trace = 2.532226613164949 (6.979e-09% change) linmin: converged after 7 iterations. iteration 499: trace = 2.532226612910367 (1.00537e-08% change) large trace change predicted (2.01593e-08%) linmin: converged after 4 iterations. iteration 500: trace = 2.532226612399881 (2.01596e-08% change) linmin: converged after 2 iterations. iteration 501: trace = 2.532226612221411 (7.04793e-09% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226611968298 (9.99567e-09% change) large trace change predicted (2.14351e-08%) linmin: converged after 4 iterations. iteration 503: trace = 2.532226611425503 (2.14355e-08% change) linmin: converged after 8 iterations. iteration 504: trace = 2.532226611326438 (3.91214e-09% change) large trace change predicted (1.5868e-08%) linmin: converged after 6 iterations. iteration 505: trace = 2.532226610924618 (1.58683e-08% change) linmin: converged after 4 iterations. iteration 506: trace = 2.532226610725429 (7.86615e-09% change) linmin: converged after 31 iterations. iteration 507: trace = 2.532226610623212 (4.03666e-09% change) linmin: converged after 3 iterations. iteration 508: trace = 2.532226610434984 (7.4333e-09% change) linmin: converged after 5 iterations. iteration 509: trace = 2.532226610222762 (8.38084e-09% change) linmin: converged after 5 iterations. iteration 510: trace = 2.532226610173883 (1.9303e-09% change) large trace change predicted (7.8643e-09%) linmin: converged after 6 iterations. iteration 511: trace = 2.53222660997474 (7.86434e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226609886891 (3.46923e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226609799483 (3.45184e-09% change) large trace change predicted (7.71713e-09%) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609604071 (7.71697e-09% change) linmin: converged after 5 iterations. iteration 515: trace = 2.532226609544812 (2.34019e-09% change) large trace change predicted (1.09381e-08%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609267831 (1.09383e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.532226609018814 (9.83391e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.53222660894698 (2.8368e-09% change) large trace change predicted (9.281e-09%) linmin: converged after 4 iterations. iteration 519: trace = 2.532226608711967 (9.2809e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608517506 (7.67944e-09% change) linmin: converged after 6 iterations. iteration 521: trace = 2.532226608402708 (4.53348e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.532226608322754 (3.15747e-09% change) linmin: converged after 5 iterations. iteration 523: trace = 2.532226608168338 (6.098e-09% change) linmin: converged after 18 iterations. iteration 524: trace = 2.532226608129962 (1.51552e-09% change) large trace change predicted (4.7414e-09%) linmin: converged after 3 iterations. iteration 525: trace = 2.532226608009898 (4.74146e-09% change) linmin: converged after 7 iterations. iteration 526: trace = 2.53222660790717 (4.05683e-09% change) linmin: converged after 25 iterations. iteration 527: trace = 2.532226607874787 (1.27882e-09% change) large trace change predicted (2.95209e-09%) linmin: converged after 4 iterations. iteration 528: trace = 2.53222660780003 (2.95221e-09% change) linmin: converged after 5 iterations. iteration 529: trace = 2.532226607711682 (3.48895e-09% change) linmin: converged after 5 iterations. iteration 530: trace = 2.532226607689313 (8.83381e-10% change) large trace change predicted (3.39673e-09%) linmin: converged after 4 iterations. iteration 531: trace = 2.532226607603305 (3.39654e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607556994 (1.82888e-09% change) large trace change predicted (5.15415e-09%) linmin: converged after 6 iterations. iteration 533: trace = 2.532226607426478 (5.15418e-09% change) linmin: converged after 26 iterations. iteration 534: trace = 2.532226607320007 (4.20465e-09% change) linmin: converged after 20 iterations. iteration 535: trace = 2.532226607273155 (1.85021e-09% change) large trace change predicted (5.49773e-09%) linmin: converged after 6 iterations. iteration 536: trace = 2.532226607133939 (5.4978e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.532226607021761 (4.43001e-09% change) linmin: converged after 9 iterations. iteration 538: trace = 2.532226606990663 (1.2281e-09% change) linmin: converged after 4 iterations. iteration 539: trace = 2.532226606932128 (2.3116e-09% change) linmin: converged after 4 iterations. iteration 540: trace = 2.532226606878834 (2.10462e-09% change) linmin: converged after 5 iterations. iteration 541: trace = 2.532226606868314 (4.15446e-10% change) large trace change predicted (1.49828e-09%) linmin: converged after 24 iterations. iteration 542: trace = 2.532226606830374 (1.49828e-09% change) linmin: converged after 12 iterations. iteration 543: trace = 2.532226606794303 (1.42447e-09% change) linmin: converged after 22 iterations. iteration 544: trace = 2.532226606782125 (4.80931e-10% change) large trace change predicted (2.73374e-09%) linmin: converged after 22 iterations. iteration 545: trace = 2.532226606712903 (2.73364e-09% change) linmin: converged after 4 iterations. iteration 546: trace = 2.532226606637797 (2.96603e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.53222660661706 (8.18896e-10% change) large trace change predicted (2.53021e-09%) linmin: converged after 19 iterations. iteration 548: trace = 2.532226606552995 (2.53001e-09% change) linmin: converged after 18 iterations. iteration 549: trace = 2.532226606496759 (2.22081e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.532226606470123 (1.05188e-09% change) large trace change predicted (3.83324e-09%) linmin: converged after 15 iterations. iteration 551: trace = 2.532226606373056 (3.83324e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.532226606327145 (1.8131e-09% change) linmin: converged after 4 iterations. iteration 553: trace = 2.532226606287215 (1.57687e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.532226606211178 (3.00275e-09% change) linmin: converged after 4 iterations. iteration 555: trace = 2.532226606173965 (1.46957e-09% change) linmin: converged after 13 iterations. iteration 556: trace = 2.532226606148379 (1.01042e-09% change) linmin: converged after 3 iterations. iteration 557: trace = 2.532226606116196 (1.27096e-09% change) linmin: converged after 7 iterations. iteration 558: trace = 2.532226606099292 (6.67547e-10% change) linmin: converged after 3 iterations. iteration 559: trace = 2.532226606083422 (6.26703e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.532226606068846 (5.75616e-10% change) linmin: converged after 9 iterations. iteration 561: trace = 2.532226606054857 (5.52449e-10% change) large trace change predicted (1.13037e-09%) linmin: converged after 6 iterations. iteration 562: trace = 2.532226606026223 (1.1308e-09% change) linmin: converged after 9 iterations. iteration 563: trace = 2.532226606009286 (6.68845e-10% change) linmin: converged after 6 iterations. iteration 564: trace = 2.532226605975791 (1.32273e-09% change) linmin: converged after 3 iterations. iteration 565: trace = 2.532226605917683 (2.29476e-09% change) linmin: converged after 7 iterations. iteration 566: trace = 2.532226605904032 (5.39068e-10% change) large trace change predicted (2.05215e-09%) linmin: converged after 3 iterations. iteration 567: trace = 2.532226605852077 (2.05175e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.532226605788764 (2.5003e-09% change) linmin: converged after 3 iterations. iteration 569: trace = 2.532226605775743 (5.14199e-10% change) large trace change predicted (1.58741e-09%) linmin: converged after 18 iterations. iteration 570: trace = 2.532226605735547 (1.58741e-09% change) linmin: converged after 8 iterations. iteration 571: trace = 2.532226605696275 (1.55086e-09% change) linmin: converged after 3 iterations. iteration 572: trace = 2.532226605685647 (4.19725e-10% change) large trace change predicted (1.57352e-09%) linmin: converged after 18 iterations. iteration 573: trace = 2.53222660564579 (1.57401e-09% change) linmin: converged after 2 iterations. iteration 574: trace = 2.532226605632328 (5.31614e-10% change) linmin: converged after 4 iterations. iteration 575: trace = 2.532226605605588 (1.056e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605588868 (6.60269e-10% change) linmin: converged after 4 iterations. iteration 577: trace = 2.532226605580447 (3.32564e-10% change) large trace change predicted (6.97487e-10%) linmin: converged after 4 iterations. iteration 578: trace = 2.532226605562793 (6.97151e-10% change) linmin: converged after 15 iterations. iteration 579: trace = 2.532226605545181 (6.9552e-10% change) linmin: converged after 10 iterations. iteration 580: trace = 2.532226605537027 (3.22006e-10% change) large trace change predicted (1.41045e-09%) linmin: converged after 11 iterations. iteration 581: trace = 2.532226605501307 (1.41061e-09% change) linmin: converged after 12 iterations. iteration 582: trace = 2.532226605468477 (1.29651e-09% change) linmin: converged after 4 iterations. iteration 583: trace = 2.532226605454907 (5.35893e-10% change) large trace change predicted (2.00528e-09%) linmin: converged after 14 iterations. iteration 584: trace = 2.532226605404139 (2.00485e-09% change) linmin: converged after 18 iterations. iteration 585: trace = 2.532226605365055 (1.54348e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.53222660535212 (5.10832e-10% change) large trace change predicted (1.82058e-09%) linmin: converged after 7 iterations. iteration 587: trace = 2.532226605306021 (1.8205e-09% change) linmin: converged after 5 iterations. iteration 588: trace = 2.532226605275614 (1.20078e-09% change) linmin: converged after 13 iterations. iteration 589: trace = 2.532226605258465 (6.77228e-10% change) linmin: converged after 5 iterations. iteration 590: trace = 2.532226605250274 (3.23479e-10% change) large trace change predicted (8.80806e-10%) linmin: converged after 5 iterations. iteration 591: trace = 2.532226605227968 (8.80891e-10% change) linmin: converged after 14 iterations. iteration 592: trace = 2.53222660521431 (5.39366e-10% change) linmin: converged after 3 iterations. iteration 593: trace = 2.532226605192187 (8.73666e-10% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605161713 (1.20342e-09% change) linmin: converged after 16 iterations. iteration 595: trace = 2.532226605155477 (2.46279e-10% change) large trace change predicted (9.51595e-10%) linmin: converged after 12 iterations. iteration 596: trace = 2.532226605131388 (9.51304e-10% change) linmin: converged after 15 iterations. iteration 597: trace = 2.532226605099646 (1.25353e-09% change) linmin: converged after 19 iterations. iteration 598: trace = 2.532226605090417 (3.64429e-10% change) large trace change predicted (1.33813e-09%) linmin: converged after 4 iterations. iteration 599: trace = 2.532226605056539 (1.3379e-09% change) linmin: converged after 4 iterations. iteration 600: trace = 2.532226605014437 (1.66264e-09% change) linmin: converged after 5 iterations. iteration 601: trace = 2.532226605005345 (3.59028e-10% change) large trace change predicted (1.49344e-09%) linmin: converged after 20 iterations. iteration 602: trace = 2.532226604967539 (1.49302e-09% change) linmin: converged after 19 iterations. iteration 603: trace = 2.532226604937873 (1.17152e-09% change) linmin: converged after 20 iterations. iteration 604: trace = 2.532226604927114 (4.24899e-10% change) linmin: converged after 11 iterations. iteration 605: trace = 2.53222660490797 (7.56006e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.532226604884628 (9.21788e-10% change) linmin: converged after 6 iterations. iteration 607: trace = 2.532226604880573 (1.60135e-10% change) large trace change predicted (6.89577e-10%) linmin: converged after 5 iterations. iteration 608: trace = 2.532226604863107 (6.89767e-10% change) linmin: converged after 9 iterations. iteration 609: trace = 2.532226604850033 (5.16286e-10% change) linmin: converged after 13 iterations. iteration 610: trace = 2.532226604841697 (3.29214e-10% change) linmin: converged after 4 iterations. iteration 611: trace = 2.532226604827696 (5.52922e-10% change) linmin: converged after 3 iterations. iteration 612: trace = 2.532226604817319 (4.09799e-10% change) linmin: converged after 21 iterations. iteration 613: trace = 2.532226604805325 (4.73635e-10% change) large trace change predicted (1.12984e-09%) linmin: converged after 5 iterations. iteration 614: trace = 2.532226604776719 (1.12966e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.532226604767482 (3.64815e-10% change) large trace change predicted (1.39838e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604732074 (1.39826e-09% change) linmin: converged after 7 iterations. iteration 617: trace = 2.532226604714312 (7.0143e-10% change) linmin: converged after 18 iterations. iteration 618: trace = 2.532226604701499 (5.06027e-10% change) linmin: converged after 16 iterations. iteration 619: trace = 2.532226604688483 (5.13989e-10% change) linmin: converged after 5 iterations. iteration 620: trace = 2.53222660467002 (7.29139e-10% change) linmin: converged after 5 iterations. iteration 621: trace = 2.532226604663438 (2.59923e-10% change) linmin: converged after 4 iterations. iteration 622: trace = 2.532226604651115 (4.86666e-10% change) linmin: converged after 3 iterations. iteration 623: trace = 2.532226604636989 (5.57815e-10% change) linmin: converged after 6 iterations. iteration 624: trace = 2.532226604631824 (2.03979e-10% change) linmin: converged after 5 iterations. iteration 625: trace = 2.532226604627647 (1.64975e-10% change) linmin: converged after 4 iterations. iteration 626: trace = 2.532226604620649 (2.76356e-10% change) linmin: converged after 4 iterations. iteration 627: trace = 2.532226604615913 (1.87002e-10% change) linmin: converged after 7 iterations. iteration 628: trace = 2.532226604609169 (2.66324e-10% change) large trace change predicted (3.49197e-09%) linmin: converged after 6 iterations. iteration 629: trace = 2.532226604520738 (3.49224e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.532226604502211 (7.31647e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.532226604482805 (7.66371e-10% change) linmin: converged after 6 iterations. iteration 632: trace = 2.532226604475706 (2.80319e-10% change) linmin: converged after 3 iterations. iteration 633: trace = 2.532226604469369 (2.5026e-10% change) linmin: converged after 5 iterations. iteration 634: trace = 2.532226604461006 (3.30266e-10% change) linmin: converged after 9 iterations. iteration 635: trace = 2.532226604459286 (6.79403e-11% change) Finished solving for bands 1 to 10 after 635 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: 7.016152858734131 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553205842791356 (2.55578% change) linmin: converged after 5 iterations. iteration 2: trace = 2.488913274836149 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.46519919501704 (0.957349% change) linmin: converged after 6 iterations. iteration 4: trace = 2.460842866405397 (0.176869% change) large trace change predicted (0.419621%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658410237942 (0.414719% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937338527624 (0.111096% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239274897907 (0.110279% change) linmin: converged after 4 iterations. iteration 8: trace = 2.44231745970643 (0.119561% change) linmin: converged after 3 iterations. iteration 9: trace = 2.441409155917304 (0.0371972% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907562169247 (0.0615241% change) linmin: converged after 4 iterations. iteration 11: trace = 2.439403354061927 (0.0206672% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989900335475 (0.0169504% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435710571741 (0.0227247% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281705262742 (0.00631594% change) large trace change predicted (0.0151055%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911193133207 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756440146048 (0.00634797% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437474987785376 (0.0115462% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437032983404025 (0.0181353% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850908727834 (0.00747144% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522537396473 (0.0134761% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395534825373 (0.00521259% change) large trace change predicted (0.01788%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954645901254 (0.0180976% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746468126658 (0.00854641% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488643042378 (0.0105856% change) linmin: converged after 3 iterations. iteration 25: trace = 2.435193354156475 (0.0121252% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111725506627 (0.0033521% change) large trace change predicted (0.0170026%) linmin: converged after 4 iterations. iteration 27: trace = 2.434694708935309 (0.0171266% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620880185159 (0.00303241% change) large trace change predicted (0.0100131%) linmin: converged after 3 iterations. iteration 29: trace = 2.434376778432016 (0.0100268% change) linmin: converged after 4 iterations. iteration 30: trace = 2.434193129313752 (0.00754427% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081184764508 (0.00459894% change) linmin: converged after 5 iterations. iteration 32: trace = 2.433913911387239 (0.00687237% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862372400577 (0.00211756% change) large trace change predicted (0.00703878%) linmin: converged after 4 iterations. iteration 34: trace = 2.433691016986194 (0.00704072% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624206924068 (0.00274525% change) large trace change predicted (0.00707901%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451741669498 (0.00708702% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377205782809 (0.00306302% change) linmin: converged after 3 iterations. iteration 38: trace = 2.433271777472237 (0.00433269% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178132036078 (0.00384861% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135753276242 (0.00174172% change) large trace change predicted (0.00592551%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991400308773 (0.00593297% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432955958827807 (0.00145671% change) large trace change predicted (0.00705931%) linmin: converged after 3 iterations. iteration 43: trace = 2.432783890610609 (0.00707264% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719742847072 (0.00263684% change) large trace change predicted (0.00567878%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580564175601 (0.00572128% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479266866086 (0.00416428% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432284925037151 (0.00798977% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170699582004 (0.00469633% change) linmin: converged after 4 iterations. iteration 49: trace = 2.432052506548385 (0.00485969% change) linmin: converged after 3 iterations. iteration 50: trace = 2.43187743689575 (0.00719869% change) linmin: converged after 3 iterations. iteration 51: trace = 2.43179560470047 (0.00336504% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696278381821 (0.00408457% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636637715722 (0.00245267% change) large trace change predicted (0.00592262%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492294519308 (0.00593623% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457052982016 (0.00144939% change) large trace change predicted (0.00664185%) linmin: converged after 4 iterations. iteration 56: trace = 2.431295634680028 (0.00663897% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431256975200176 (0.00159009% change) large trace change predicted (0.00464828%) linmin: converged after 3 iterations. iteration 58: trace = 2.431143972873546 (0.00464801% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431089954996219 (0.00222194% change) linmin: converged after 4 iterations. iteration 60: trace = 2.43101660088393 (0.00301738% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430956966909739 (0.00245308% change) linmin: converged after 3 iterations. iteration 62: trace = 2.430908520215173 (0.00199293% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849547470475 (0.00242598% change) linmin: converged after 5 iterations. iteration 64: trace = 2.430813153373704 (0.00149719% change) linmin: converged after 3 iterations. iteration 65: trace = 2.430743239050241 (0.00287621% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720359832493 (0.000941248% change) large trace change predicted (0.00257252%) linmin: converged after 3 iterations. iteration 67: trace = 2.43065774376562 (0.00257606% change) linmin: converged after 6 iterations. iteration 68: trace = 2.430628177399375 (0.0012164% change) large trace change predicted (0.00251847%) linmin: converged after 3 iterations. iteration 69: trace = 2.430566957345863 (0.00251872% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539045831375 (0.00114836% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504543509576 (0.00141954% change) linmin: converged after 3 iterations. iteration 72: trace = 2.430479090118753 (0.00104725% change) linmin: converged after 4 iterations. iteration 73: trace = 2.430467643879072 (0.000470947% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449097989406 (0.000763061% change) linmin: converged after 5 iterations. iteration 75: trace = 2.430430747252596 (0.000755038% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421340541338 (0.00038704% change) large trace change predicted (0.000998485%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397098839795 (0.000997433% change) linmin: converged after 5 iterations. iteration 78: trace = 2.430361986951246 (0.00144471% change) linmin: converged after 6 iterations. iteration 79: trace = 2.430349716104442 (0.000504899% change) large trace change predicted (0.00196741%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301861152404 (0.00196908% change) linmin: converged after 5 iterations. iteration 81: trace = 2.430250306715516 (0.00212134% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430232547151521 (0.000730774% change) large trace change predicted (0.00376229%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141175935281 (0.00375984% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430104941640172 (0.00149105% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430051957738411 (0.00218034% change) linmin: converged after 3 iterations. iteration 86: trace = 2.430006019826397 (0.00189043% change) linmin: converged after 4 iterations. iteration 87: trace = 2.429964297667022 (0.00171697% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930767393095 (0.00137988% change) linmin: converged after 3 iterations. iteration 89: trace = 2.4298918046002 (0.00160347% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864308091854 (0.0011316% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429843969603421 (0.000837025% change) linmin: converged after 3 iterations. iteration 92: trace = 2.42982503644049 (0.000779196% change) linmin: converged after 5 iterations. iteration 93: trace = 2.42982023498631 (0.000197605% change) linmin: converged after 3 iterations. iteration 94: trace = 2.42981142747966 (0.000362476% change) linmin: converged after 6 iterations. iteration 95: trace = 2.429799215244749 (0.000502601% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796321294199 (0.000119103% change) large trace change predicted (0.000516852%) linmin: converged after 5 iterations. iteration 97: trace = 2.429783764374849 (0.00051679% change) linmin: converged after 3 iterations. iteration 98: trace = 2.429779090323833 (0.000192365% change) large trace change predicted (0.000403164%) linmin: converged after 5 iterations. iteration 99: trace = 2.429769300277517 (0.00040292% change) linmin: converged after 5 iterations. iteration 100: trace = 2.429751280150735 (0.000741642% change) linmin: converged after 3 iterations. iteration 101: trace = 2.429742293184614 (0.000369873% change) large trace change predicted (0.00141944%) linmin: converged after 3 iterations. iteration 102: trace = 2.429707931005752 (0.00141424% change) linmin: converged after 3 iterations. iteration 103: trace = 2.429664742126383 (0.00177755% change) linmin: converged after 5 iterations. iteration 104: trace = 2.42964703678975 (0.000728718% change) large trace change predicted (0.00236187%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590000698421 (0.00234753% change) linmin: converged after 5 iterations. iteration 106: trace = 2.429561923698721 (0.00115563% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535109406144 (0.00110367% change) linmin: converged after 4 iterations. iteration 108: trace = 2.429519668941048 (0.000635534% change) linmin: converged after 4 iterations. iteration 109: trace = 2.429512099873657 (0.000311546% change) linmin: converged after 3 iterations. iteration 110: trace = 2.429498041536988 (0.00057865% change) linmin: converged after 3 iterations. iteration 111: trace = 2.429487726231842 (0.000424587% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483204284015 (0.000186128% change) large trace change predicted (0.000475009%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471656868277 (0.000475305% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465017534688 (0.000273283% change) linmin: converged after 6 iterations. iteration 115: trace = 2.429459340443215 (0.000233677% change) large trace change predicted (0.00064909%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443544026737 (0.000650205% change) linmin: converged after 5 iterations. iteration 117: trace = 2.429438251166354 (0.000217863% change) large trace change predicted (0.000446507%) linmin: converged after 3 iterations. iteration 118: trace = 2.429427389389969 (0.000447091% change) linmin: converged after 4 iterations. iteration 119: trace = 2.429413500248501 (0.000571706% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408289849947 (0.000214472% change) large trace change predicted (0.000901529%) linmin: converged after 3 iterations. iteration 121: trace = 2.42938628408313 (0.000905812% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375768889734 (0.000432834% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364793471272 (0.00045178% change) large trace change predicted (0.00110585%) linmin: converged after 3 iterations. iteration 124: trace = 2.429337799444583 (0.00111116% change) linmin: converged after 4 iterations. iteration 125: trace = 2.429334042058855 (0.000154667% change) large trace change predicted (0.000524479%) linmin: converged after 3 iterations. iteration 126: trace = 2.429321283605455 (0.000525185% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312519915006 (0.000360747% change) linmin: converged after 3 iterations. iteration 128: trace = 2.429306989347554 (0.00022766% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299553973455 (0.00030607% change) linmin: converged after 3 iterations. iteration 130: trace = 2.429296472302093 (0.000126854% change) linmin: converged after 3 iterations. iteration 131: trace = 2.429294275738136 (9.04198e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.42929208975206 (8.99844e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.429291249019844 (3.46081e-05% change) large trace change predicted (0.000156368%) linmin: converged after 3 iterations. iteration 134: trace = 2.429287448743651 (0.000156436% change) linmin: converged after 5 iterations. iteration 135: trace = 2.429285730593804 (7.07265e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283981063746 (7.20183e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.429281335797567 (0.000108891% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278066563566 (0.000134576% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275582494143 (0.000102256% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274070116226 (6.22564e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.429272866279448 (4.95554e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.429271225403611 (6.7546e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.42927019824841 (4.22825e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268616221794 (6.51236e-05% change) linmin: converged after 5 iterations. iteration 145: trace = 2.429267009324299 (6.61474e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266439273037 (2.3466e-05% change) large trace change predicted (8.04637e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.42926448529054 (8.04351e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263365860308 (4.6081e-05% change) linmin: converged after 5 iterations. iteration 149: trace = 2.429261872977618 (6.14541e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.42925981732152 (8.46206e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.429257093517242 (0.000112125% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255758696009 (5.49477e-05% change) large trace change predicted (0.000132313%) linmin: converged after 4 iterations. iteration 153: trace = 2.429252546020687 (0.000132249% change) linmin: converged after 3 iterations. iteration 154: trace = 2.429251851684682 (2.85823e-05% change) large trace change predicted (0.000123695%) linmin: converged after 8 iterations. iteration 155: trace = 2.429248849631402 (0.000123579% change) linmin: converged after 3 iterations. iteration 156: trace = 2.42924688233119 (8.09839e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.429245858684599 (4.21384e-05% change) large trace change predicted (0.000117941%) linmin: converged after 4 iterations. iteration 158: trace = 2.429242993884103 (0.00011793% change) linmin: converged after 4 iterations. iteration 159: trace = 2.429241112617927 (7.74425e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240339453965 (3.18274e-05% change) large trace change predicted (9.44648e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238045297253 (9.44393e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.429236539724137 (6.19772e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234964986051 (6.48244e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.429234235566351 (3.00267e-05% change) linmin: converged after 5 iterations. iteration 165: trace = 2.429233864604973 (1.52707e-05% change) large trace change predicted (3.29108e-05%) linmin: converged after 3 iterations. iteration 166: trace = 2.429233065269648 (3.29048e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.429232275519476 (3.25103e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232085322893 (7.82949e-06% change) large trace change predicted (2.14828e-05%) linmin: converged after 7 iterations. iteration 169: trace = 2.429231563447363 (2.14832e-05% change) large trace change predicted (4.60703e-05%) linmin: converged after 3 iterations. iteration 170: trace = 2.429230443474924 (4.6104e-05% change) linmin: converged after 5 iterations. iteration 171: trace = 2.429230034145016 (1.68502e-05% change) large trace change predicted (5.02765e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228812132871 (5.03045e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.429226565203379 (9.24956e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.429225429001949 (4.67722e-05% change) large trace change predicted (0.000152714%) linmin: converged after 7 iterations. iteration 175: trace = 2.429221708244483 (0.000153167% change) linmin: converged after 3 iterations. iteration 176: trace = 2.429220693675597 (4.17652e-05% change) large trace change predicted (0.000107622%) linmin: converged after 7 iterations. iteration 177: trace = 2.429218073698265 (0.000107853% change) linmin: converged after 3 iterations. iteration 178: trace = 2.429216785409799 (5.30331e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.429216314700206 (1.9377e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215460610151 (3.51591e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.429214872661774 (2.42032e-05% change) linmin: converged after 5 iterations. iteration 182: trace = 2.429214647870503 (9.25366e-06% change) linmin: converged after 3 iterations. iteration 183: trace = 2.42921420693578 (1.81513e-05% change) linmin: converged after 4 iterations. iteration 184: trace = 2.42921398107663 (9.29762e-06% change) large trace change predicted (2.14871e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.429213459081854 (2.14882e-05% change) large trace change predicted (4.56788e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.429212349389115 (4.56812e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429212013069137 (1.38448e-05% change) large trace change predicted (3.97043e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.429211048548791 (3.97051e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.429209635883958 (5.81533e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.429209291566564 (1.41741e-05% change) large trace change predicted (9.28597e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.429207036322341 (9.28387e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205471671259 (6.441e-05% change) linmin: converged after 5 iterations. iteration 193: trace = 2.429204797901843 (2.77362e-05% change) large trace change predicted (8.21678e-05%) linmin: converged after 3 iterations. iteration 194: trace = 2.429202802563061 (8.21396e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201126809466 (6.89837e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200342775534 (3.22754e-05% change) large trace change predicted (8.44474e-05%) linmin: converged after 5 iterations. iteration 197: trace = 2.429198292284605 (8.44102e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.429196840847665 (5.97496e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.42919617167976 (2.75469e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.429195183845233 (4.06651e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.429194973646922 (8.653e-06% change) linmin: converged after 3 iterations. iteration 202: trace = 2.429194583802545 (1.60483e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.42919390789638 (2.78243e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.429193753107302 (6.37203e-06% change) large trace change predicted (2.21674e-05%) linmin: converged after 2 iterations. iteration 205: trace = 2.429193214614747 (2.21675e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.429192602559315 (2.51958e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.429192178710672 (1.74481e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.42919157642237 (2.47938e-05% change) large trace change predicted (6.02528e-05%) linmin: converged after 3 iterations. iteration 209: trace = 2.429190112848784 (6.02494e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.429189346614284 (3.15428e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.42918879063683 (2.28874e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.429188457489502 (1.37143e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429188131485812 (1.34203e-05% change) linmin: converged after 2 iterations. iteration 214: trace = 2.429187716143586 (1.7098e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429187566185853 (6.17316e-06% change) large trace change predicted (1.31237e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.429187247342863 (1.31255e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.429186687034074 (2.30657e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429186515541991 (7.05965e-06% change) large trace change predicted (1.56433e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429186135474056 (1.56459e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.429185654045175 (1.98185e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.429185403917277 (1.02968e-05% change) large trace change predicted (3.1553e-05%) linmin: converged after 3 iterations. iteration 222: trace = 2.429184637393466 (3.15548e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.429184370039415 (1.10059e-05% change) large trace change predicted (2.50119e-05%) linmin: converged after 4 iterations. iteration 224: trace = 2.429183762492924 (2.50103e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.429183261572824 (2.06209e-05% change) linmin: converged after 2 iterations. iteration 226: trace = 2.429183009839431 (1.03629e-05% change) large trace change predicted (2.18761e-05%) linmin: converged after 3 iterations. iteration 227: trace = 2.429182478566917 (2.18704e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181844976533 (2.60825e-05% change) linmin: converged after 2 iterations. iteration 229: trace = 2.429181606302748 (9.82527e-06% change) large trace change predicted (2.80937e-05%) linmin: converged after 3 iterations. iteration 230: trace = 2.42918092394997 (2.80898e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.429180040683092 (3.63607e-05% change) linmin: converged after 29 iterations. iteration 232: trace = 2.42917985118543 (7.80089e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.429179668751535 (7.5101e-06% change) linmin: converged after 27 iterations. iteration 234: trace = 2.429179363888607 (1.255e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.429179260262558 (4.26589e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.429179125357067 (5.55354e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429178992222104 (5.48066e-06% change) linmin: converged after 10 iterations. iteration 238: trace = 2.429178942638243 (2.04118e-06% change) large trace change predicted (6.42212e-06%) linmin: converged after 15 iterations. iteration 239: trace = 2.429178786658372 (6.42109e-06% change) linmin: converged after 5 iterations. iteration 240: trace = 2.429178540736347 (1.01237e-05% change) linmin: converged after 4 iterations. iteration 241: trace = 2.429178407554116 (5.4826e-06% change) large trace change predicted (1.27068e-05%) linmin: converged after 5 iterations. iteration 242: trace = 2.429178099050102 (1.26999e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.429177612111965 (2.00454e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.429177367724142 (1.00605e-05% change) large trace change predicted (2.6825e-05%) linmin: converged after 3 iterations. iteration 245: trace = 2.429176716581978 (2.68051e-05% change) linmin: converged after 5 iterations. iteration 246: trace = 2.429176438374334 (1.14528e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.429176173648322 (1.08978e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.429175782483307 (1.61028e-05% change) linmin: converged after 5 iterations. iteration 249: trace = 2.429175517984358 (1.08884e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.429175258581779 (1.06786e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.429174981606006 (1.14021e-05% change) linmin: converged after 6 iterations. iteration 252: trace = 2.429174886274834 (3.92443e-06% change) large trace change predicted (1.1507e-05%) linmin: converged after 9 iterations. iteration 253: trace = 2.42917460677159 (1.15061e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.42917440068351 (8.48387e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.429174328871405 (2.95624e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.4291742018927 (5.22724e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.42917403222047 (6.98477e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.429173985566607 (1.92056e-06% change) large trace change predicted (7.66262e-06%) linmin: converged after 17 iterations. iteration 259: trace = 2.429173799425864 (7.66272e-06% change) linmin: converged after 4 iterations. iteration 260: trace = 2.429173739921335 (2.44958e-06% change) large trace change predicted (1.10899e-05%) linmin: converged after 3 iterations. iteration 261: trace = 2.429173470465457 (1.10925e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.429173140857954 (1.35687e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429173005292996 (5.5807e-06% change) large trace change predicted (2.44133e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.429172411779167 (2.44328e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.429171771539573 (2.63563e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.429171510746523 (1.07359e-05% change) large trace change predicted (2.45421e-05%) linmin: converged after 5 iterations. iteration 267: trace = 2.429170914295868 (2.45537e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.429170598526912 (1.2999e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.42917048160352 (4.81331e-06% change) linmin: converged after 5 iterations. iteration 270: trace = 2.429170274067446 (8.5435e-06% change) linmin: converged after 4 iterations. iteration 271: trace = 2.42917012774077 (6.02373e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.429170067764426 (2.46901e-06% change) large trace change predicted (8.64224e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169857823509 (8.6425e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.429169816857402 (1.68642e-06% change) large trace change predicted (7.57862e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169632744387 (7.57926e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.4291694545444 (7.33584e-06% change) linmin: converged after 3 iterations. iteration 277: trace = 2.429169398722075 (2.298e-06% change) large trace change predicted (8.25156e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429169198286032 (8.25122e-06% change) linmin: converged after 4 iterations. iteration 279: trace = 2.429168981834856 (8.9105e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.429168921014405 (2.50376e-06% change) large trace change predicted (6.26045e-06%) linmin: converged after 3 iterations. iteration 281: trace = 2.429168768938524 (6.26041e-06% change) linmin: converged after 2 iterations. iteration 282: trace = 2.429168629733045 (5.73058e-06% change) linmin: converged after 5 iterations. iteration 283: trace = 2.429168586308407 (1.78763e-06% change) large trace change predicted (6.64227e-06%) linmin: converged after 3 iterations. iteration 284: trace = 2.429168424968624 (6.64177e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168317037809 (4.44312e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.429168280179709 (1.51731e-06% change) large trace change predicted (7.25009e-06%) linmin: converged after 3 iterations. iteration 287: trace = 2.429168104076131 (7.24954e-06% change) linmin: converged after 5 iterations. iteration 288: trace = 2.429168047480174 (2.32985e-06% change) large trace change predicted (5.62556e-06%) linmin: converged after 4 iterations. iteration 289: trace = 2.429167910834531 (5.6252e-06% change) linmin: converged after 4 iterations. iteration 290: trace = 2.429167734953966 (7.24036e-06% change) linmin: converged after 2 iterations. iteration 291: trace = 2.429167656977318 (3.21002e-06% change) large trace change predicted (7.44666e-06%) linmin: converged after 5 iterations. iteration 292: trace = 2.429167476117235 (7.44535e-06% change) linmin: converged after 5 iterations. iteration 293: trace = 2.429167234615186 (9.94176e-06% change) linmin: converged after 3 iterations. iteration 294: trace = 2.429167144367667 (3.71516e-06% change) large trace change predicted (1.06108e-05%) linmin: converged after 3 iterations. iteration 295: trace = 2.429166886721705 (1.06064e-05% change) linmin: converged after 7 iterations. iteration 296: trace = 2.429166688019499 (8.17985e-06% change) linmin: converged after 4 iterations. iteration 297: trace = 2.42916663331077 (2.25216e-06% change) large trace change predicted (8.8094e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.429166419403722 (8.80578e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.42916628504135 (5.53121e-06% change) linmin: converged after 2 iterations. iteration 300: trace = 2.42916624444546 (1.67119e-06% change) large trace change predicted (6.29917e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.429166091437963 (6.29877e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165991978638 (4.09438e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.429165941630585 (2.07265e-06% change) linmin: converged after 3 iterations. iteration 304: trace = 2.429165889555837 (2.14373e-06% change) linmin: converged after 4 iterations. iteration 305: trace = 2.429165859494412 (1.23752e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.42916580505371 (2.24113e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.429165735446625 (2.86547e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.429165712843279 (9.30498e-07% change) large trace change predicted (1.94056e-06%) linmin: converged after 5 iterations. iteration 309: trace = 2.429165665698539 (1.94078e-06% change) large trace change predicted (5.2957e-06%) linmin: converged after 3 iterations. iteration 310: trace = 2.429165537039187 (5.29644e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.429165506886545 (1.24128e-06% change) large trace change predicted (4.84193e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165389248998 (4.84271e-06% change) linmin: converged after 3 iterations. iteration 313: trace = 2.429165277531701 (4.599e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.429165221447299 (2.30879e-06% change) large trace change predicted (6.46531e-06%) linmin: converged after 3 iterations. iteration 315: trace = 2.42916506435804 (6.4668e-06% change) linmin: converged after 5 iterations. iteration 316: trace = 2.429164904514264 (6.58019e-06% change) linmin: converged after 3 iterations. iteration 317: trace = 2.429164862236627 (1.74042e-06% change) large trace change predicted (5.04382e-06%) linmin: converged after 3 iterations. iteration 318: trace = 2.429164739694806 (5.04461e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.429164642867732 (3.98602e-06% change) linmin: converged after 14 iterations. iteration 320: trace = 2.429164595458646 (1.95166e-06% change) large trace change predicted (4.72993e-06%) linmin: converged after 5 iterations. iteration 321: trace = 2.429164480542211 (4.7307e-06% change) linmin: converged after 3 iterations. iteration 322: trace = 2.429164444748405 (1.4735e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.429164385067251 (2.45686e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.429164298258069 (3.57362e-06% change) linmin: converged after 4 iterations. iteration 325: trace = 2.429164283542477 (6.05788e-07% change) large trace change predicted (1.61574e-06%) linmin: converged after 2 iterations. iteration 326: trace = 2.429164244293552 (1.61574e-06% change) linmin: converged after 8 iterations. iteration 327: trace = 2.429164215496332 (1.18548e-06% change) linmin: converged after 2 iterations. iteration 328: trace = 2.429164176774291 (1.59405e-06% change) linmin: converged after 16 iterations. iteration 329: trace = 2.429164155023704 (8.95394e-07% change) large trace change predicted (2.83239e-06%) linmin: converged after 3 iterations. iteration 330: trace = 2.42916408622245 (2.8323e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.429164032100897 (2.22799e-06% change) linmin: converged after 5 iterations. iteration 332: trace = 2.429163971974718 (2.47518e-06% change) large trace change predicted (7.43305e-06%) linmin: converged after 4 iterations. iteration 333: trace = 2.429163791438774 (7.43202e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.429163732171987 (2.4398e-06% change) large trace change predicted (5.02815e-06%) linmin: converged after 5 iterations. iteration 335: trace = 2.429163610066428 (5.02665e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.42916338672726 (9.19408e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.429163353363501 (1.37347e-06% change) large trace change predicted (5.37897e-06%) linmin: converged after 4 iterations. iteration 338: trace = 2.429163222710848 (5.3785e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163183150827 (1.62855e-06% change) linmin: converged after 2 iterations. iteration 340: trace = 2.429163130753452 (2.15701e-06% change) linmin: converged after 4 iterations. iteration 341: trace = 2.429163084040967 (1.92299e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.429163023932287 (2.47446e-06% change) linmin: converged after 2 iterations. iteration 343: trace = 2.429162996702226 (1.12096e-06% change) large trace change predicted (2.32954e-06%) linmin: converged after 4 iterations. iteration 344: trace = 2.429162940115559 (2.32947e-06% change) linmin: converged after 8 iterations. iteration 345: trace = 2.429162920347316 (8.13788e-07% change) large trace change predicted (1.95358e-06%) linmin: converged after 16 iterations. iteration 346: trace = 2.429162872891864 (1.95357e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.429162821373327 (2.12084e-06% change) linmin: converged after 19 iterations. iteration 348: trace = 2.429162804670568 (6.87593e-07% change) large trace change predicted (1.57722e-06%) linmin: converged after 4 iterations. iteration 349: trace = 2.429162766355807 (1.57728e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162735749439 (1.25996e-06% change) linmin: converged after 6 iterations. iteration 351: trace = 2.429162723929518 (4.86584e-07% change) large trace change predicted (1.53229e-06%) linmin: converged after 4 iterations. iteration 352: trace = 2.429162686706659 (1.53233e-06% change) linmin: converged after 4 iterations. iteration 353: trace = 2.42916265680125 (1.2311e-06% change) linmin: converged after 6 iterations. iteration 354: trace = 2.429162640536202 (6.69574e-07% change) large trace change predicted (1.86661e-06%) linmin: converged after 5 iterations. iteration 355: trace = 2.429162595192504 (1.86664e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.429162572223402 (9.45556e-07% change) large trace change predicted (2.16735e-06%) linmin: converged after 6 iterations. iteration 357: trace = 2.429162519573552 (2.16741e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.429162471310357 (1.98682e-06% change) linmin: converged after 5 iterations. iteration 359: trace = 2.429162448904374 (9.22375e-07% change) linmin: converged after 4 iterations. iteration 360: trace = 2.429162404443294 (1.8303e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162327654679 (3.16111e-06% change) linmin: converged after 10 iterations. iteration 362: trace = 2.429162310205441 (7.18323e-07% change) large trace change predicted (3.17126e-06%) linmin: converged after 2 iterations. iteration 363: trace = 2.429162233169104 (3.17131e-06% change) linmin: converged after 3 iterations. iteration 364: trace = 2.429162194703788 (1.58348e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.429162148378033 (1.90707e-06% change) linmin: converged after 2 iterations. iteration 366: trace = 2.42916206412035 (3.46859e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.429162023557201 (1.66984e-06% change) linmin: converged after 2 iterations. iteration 368: trace = 2.429161973913371 (2.04366e-06% change) linmin: converged after 5 iterations. iteration 369: trace = 2.429161923149393 (2.08977e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.429161906858089 (6.70655e-07% change) large trace change predicted (1.4887e-06%) linmin: converged after 5 iterations. iteration 371: trace = 2.429161870694827 (1.48871e-06% change) linmin: converged after 2 iterations. iteration 372: trace = 2.429161856880615 (5.68682e-07% change) linmin: converged after 7 iterations. iteration 373: trace = 2.429161848405682 (3.48883e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.429161834124988 (5.87886e-07% change) linmin: converged after 7 iterations. iteration 375: trace = 2.429161809677163 (1.00643e-06% change) linmin: converged after 6 iterations. iteration 376: trace = 2.429161800251748 (3.88011e-07% change) linmin: converged after 7 iterations. iteration 377: trace = 2.429161782463765 (7.32268e-07% change) linmin: converged after 6 iterations. iteration 378: trace = 2.429161748653999 (1.39183e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.429161736277614 (5.09492e-07% change) large trace change predicted (1.79857e-06%) linmin: converged after 15 iterations. iteration 380: trace = 2.429161692595467 (1.79824e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.429161637331096 (2.27504e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.429161594166911 (1.77692e-06% change) linmin: converged after 6 iterations. iteration 383: trace = 2.429161567969723 (1.07845e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.429161523051181 (1.84914e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.429161512466581 (4.35731e-07% change) large trace change predicted (1.37879e-06%) linmin: converged after 5 iterations. iteration 386: trace = 2.42916147897665 (1.37866e-06% change) linmin: converged after 6 iterations. iteration 387: trace = 2.429161436887718 (1.73265e-06% change) linmin: converged after 3 iterations. iteration 388: trace = 2.42916142397759 (5.31464e-07% change) large trace change predicted (1.71411e-06%) linmin: converged after 8 iterations. iteration 389: trace = 2.429161382340345 (1.71406e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.429161361776333 (8.46548e-07% change) linmin: converged after 2 iterations. iteration 391: trace = 2.42916135208071 (3.99135e-07% change) large trace change predicted (1.01513e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.429161327421387 (1.01514e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.429161315231941 (5.01796e-07% change) linmin: converged after 6 iterations. iteration 394: trace = 2.429161305040854 (4.19531e-07% change) linmin: converged after 5 iterations. iteration 395: trace = 2.429161293305892 (4.83087e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.429161280387622 (5.318e-07% change) linmin: converged after 13 iterations. iteration 397: trace = 2.429161272572827 (3.21708e-07% change) large trace change predicted (9.08153e-07%) linmin: converged after 10 iterations. iteration 398: trace = 2.429161250511797 (9.08175e-07% change) linmin: converged after 5 iterations. iteration 399: trace = 2.429161243954715 (2.69932e-07% change) large trace change predicted (8.95356e-07%) linmin: converged after 5 iterations. iteration 400: trace = 2.429161222203909 (8.95404e-07% change) large trace change predicted (1.84221e-06%) linmin: converged after 12 iterations. iteration 401: trace = 2.429161177449934 (1.84236e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.429161165985674 (4.71943e-07% change) large trace change predicted (2.13702e-06%) linmin: converged after 5 iterations. iteration 403: trace = 2.429161114068361 (2.13725e-06% change) linmin: converged after 5 iterations. iteration 404: trace = 2.429161076499429 (1.54658e-06% change) linmin: converged after 4 iterations. iteration 405: trace = 2.429161050875831 (1.05483e-06% change) linmin: converged after 3 iterations. iteration 406: trace = 2.429161004247205 (1.91954e-06% change) linmin: converged after 4 iterations. iteration 407: trace = 2.429160972144937 (1.32154e-06% change) linmin: converged after 3 iterations. iteration 408: trace = 2.429160961821256 (4.2499e-07% change) linmin: converged after 6 iterations. iteration 409: trace = 2.429160942968922 (7.76084e-07% change) linmin: converged after 6 iterations. iteration 410: trace = 2.429160924916535 (7.43153e-07% change) linmin: converged after 4 iterations. iteration 411: trace = 2.429160913824318 (4.56628e-07% change) large trace change predicted (1.17552e-06%) linmin: converged after 4 iterations. iteration 412: trace = 2.429160885266269 (1.17563e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.429160879307999 (2.45281e-07% change) large trace change predicted (5.08661e-07%) linmin: converged after 6 iterations. iteration 414: trace = 2.429160866950874 (5.08699e-07% change) linmin: converged after 4 iterations. iteration 415: trace = 2.429160848605755 (7.55204e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.429160842874789 (2.35924e-07% change) large trace change predicted (5.01495e-07%) linmin: converged after 7 iterations. iteration 417: trace = 2.429160830692611 (5.01497e-07% change) linmin: converged after 25 iterations. iteration 418: trace = 2.429160817579143 (5.39835e-07% change) linmin: converged after 6 iterations. iteration 419: trace = 2.429160810511 (2.90971e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.42916080384917 (2.74244e-07% change) linmin: converged after 13 iterations. iteration 421: trace = 2.429160792430745 (4.70056e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160782629062 (4.03501e-07% change) linmin: converged after 3 iterations. iteration 423: trace = 2.42916077604161 (2.71182e-07% change) large trace change predicted (6.32702e-07%) linmin: converged after 6 iterations. iteration 424: trace = 2.429160760674005 (6.3263e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.429160751406038 (3.8153e-07% change) linmin: converged after 4 iterations. iteration 426: trace = 2.429160744292982 (2.92819e-07% change) large trace change predicted (8.89166e-07%) linmin: converged after 4 iterations. iteration 427: trace = 2.429160722695621 (8.89087e-07% change) linmin: converged after 3 iterations. iteration 428: trace = 2.429160717999932 (1.93305e-07% change) large trace change predicted (8.00436e-07%) linmin: converged after 4 iterations. iteration 429: trace = 2.429160698557726 (8.00367e-07% change) linmin: converged after 3 iterations. iteration 430: trace = 2.429160685335434 (5.44315e-07% change) linmin: converged after 14 iterations. iteration 431: trace = 2.429160677676452 (3.15293e-07% change) large trace change predicted (8.72181e-07%) linmin: converged after 3 iterations. iteration 432: trace = 2.429160656491159 (8.72124e-07% change) linmin: converged after 10 iterations. iteration 433: trace = 2.4291606362544 (8.33076e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.42916062567311 (4.35595e-07% change) large trace change predicted (1.34006e-06%) linmin: converged after 9 iterations. iteration 435: trace = 2.42916059312659 (1.33983e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.429160567288282 (1.06367e-06% change) linmin: converged after 4 iterations. iteration 437: trace = 2.429160561117354 (2.54035e-07% change) large trace change predicted (1.01012e-06%) linmin: converged after 3 iterations. iteration 438: trace = 2.429160536580613 (1.01009e-06% change) linmin: converged after 2 iterations. iteration 439: trace = 2.429160527284229 (3.82699e-07% change) linmin: converged after 4 iterations. iteration 440: trace = 2.429160523578827 (1.52538e-07% change) large trace change predicted (4.39378e-07%) linmin: converged after 15 iterations. iteration 441: trace = 2.429160512905636 (4.39378e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.429160510882047 (8.3304e-08% change) large trace change predicted (2.95972e-07%) linmin: converged after 8 iterations. iteration 443: trace = 2.429160503692354 (2.95974e-07% change) linmin: converged after 6 iterations. iteration 444: trace = 2.429160498297391 (2.22092e-07% change) linmin: converged after 6 iterations. iteration 445: trace = 2.429160493694689 (1.89477e-07% change) linmin: converged after 15 iterations. iteration 446: trace = 2.429160488985688 (1.93853e-07% change) large trace change predicted (4.02491e-07%) linmin: converged after 10 iterations. iteration 447: trace = 2.429160479208231 (4.02504e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.429160475680348 (1.45231e-07% change) large trace change predicted (3.83994e-07%) linmin: converged after 9 iterations. iteration 449: trace = 2.429160466352146 (3.84009e-07% change) large trace change predicted (8.25563e-07%) linmin: converged after 9 iterations. iteration 450: trace = 2.429160446296519 (8.2562e-07% change) linmin: converged after 5 iterations. iteration 451: trace = 2.429160437013377 (3.82154e-07% change) linmin: converged after 17 iterations. iteration 452: trace = 2.429160428274503 (3.59749e-07% change) linmin: converged after 5 iterations. iteration 453: trace = 2.429160416713744 (4.75916e-07% change) linmin: converged after 6 iterations. iteration 454: trace = 2.429160403942111 (5.25763e-07% change) linmin: converged after 7 iterations. iteration 455: trace = 2.429160399175538 (1.96223e-07% change) large trace change predicted (7.74613e-07%) linmin: converged after 7 iterations. iteration 456: trace = 2.42916038035606 (7.74732e-07% change) linmin: converged after 25 iterations. iteration 457: trace = 2.429160369355979 (4.52835e-07% change) linmin: converged after 18 iterations. iteration 458: trace = 2.42916035992522 (3.88231e-07% change) linmin: converged after 8 iterations. iteration 459: trace = 2.429160347578405 (5.08275e-07% change) linmin: converged after 3 iterations. iteration 460: trace = 2.429160342142342 (2.23784e-07% change) linmin: converged after 14 iterations. iteration 461: trace = 2.429160336909208 (2.1543e-07% change) linmin: converged after 6 iterations. iteration 462: trace = 2.429160331337935 (2.2935e-07% change) linmin: converged after 5 iterations. iteration 463: trace = 2.429160329169508 (8.92665e-08% change) large trace change predicted (1.9085e-07%) linmin: converged after 8 iterations. iteration 464: trace = 2.42916032453344 (1.90851e-07% change) linmin: converged after 7 iterations. iteration 465: trace = 2.429160320838228 (1.52119e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160319083046 (7.22547e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.429160315901996 (1.30953e-07% change) linmin: converged after 9 iterations. iteration 468: trace = 2.42916031060771 (2.17947e-07% change) linmin: converged after 2 iterations. iteration 469: trace = 2.429160304793272 (2.3936e-07% change) linmin: converged after 16 iterations. iteration 470: trace = 2.429160294489052 (4.24189e-07% change) linmin: converged after 3 iterations. iteration 471: trace = 2.429160285052155 (3.88484e-07% change) linmin: converged after 4 iterations. iteration 472: trace = 2.429160276261809 (3.61868e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.429160260584753 (6.45369e-07% change) linmin: converged after 19 iterations. iteration 474: trace = 2.42916025316124 (3.056e-07% change) linmin: converged after 4 iterations. iteration 475: trace = 2.429160245305413 (3.23397e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.4291602306801 (6.02073e-07% change) linmin: converged after 3 iterations. iteration 477: trace = 2.429160220859919 (4.04262e-07% change) linmin: converged after 2 iterations. iteration 478: trace = 2.429160216713328 (1.70701e-07% change) linmin: converged after 17 iterations. iteration 479: trace = 2.429160209047319 (3.15583e-07% change) linmin: converged after 25 iterations. iteration 480: trace = 2.429160204951721 (1.68601e-07% change) linmin: converged after 8 iterations. iteration 481: trace = 2.429160200504646 (1.8307e-07% change) large trace change predicted (3.71964e-07%) linmin: converged after 31 iterations. iteration 482: trace = 2.42916019146929 (3.71954e-07% change) linmin: converged after 7 iterations. iteration 483: trace = 2.429160189989039 (6.09367e-08% change) large trace change predicted (2.12886e-07%) linmin: converged after 4 iterations. iteration 484: trace = 2.429160184817716 (2.12885e-07% change) linmin: converged after 4 iterations. iteration 485: trace = 2.429160180537355 (1.76207e-07% change) linmin: converged after 6 iterations. iteration 486: trace = 2.429160179025877 (6.22222e-08% change) large trace change predicted (2.09721e-07%) linmin: converged after 4 iterations. iteration 487: trace = 2.429160173931447 (2.0972e-07% change) linmin: converged after 5 iterations. iteration 488: trace = 2.429160172229003 (7.00836e-08% change) large trace change predicted (1.8041e-07%) linmin: converged after 4 iterations. iteration 489: trace = 2.429160167846757 (1.80402e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.429160163809066 (1.66218e-07% change) linmin: converged after 4 iterations. iteration 491: trace = 2.429160162314126 (6.15415e-08% change) large trace change predicted (1.99653e-07%) linmin: converged after 8 iterations. iteration 492: trace = 2.42916015746425 (1.99652e-07% change) linmin: converged after 10 iterations. iteration 493: trace = 2.429160156138938 (5.45584e-08% change) large trace change predicted (1.54092e-07%) linmin: converged after 4 iterations. iteration 494: trace = 2.429160152395777 (1.54093e-07% change) linmin: converged after 3 iterations. iteration 495: trace = 2.429160147684549 (1.93945e-07% change) linmin: converged after 3 iterations. iteration 496: trace = 2.429160146444633 (5.1043e-08% change) large trace change predicted (2.98511e-07%) linmin: converged after 17 iterations. iteration 497: trace = 2.429160139193201 (2.98516e-07% change) linmin: converged after 32 iterations. iteration 498: trace = 2.429160135579518 (1.48763e-07% change) linmin: converged after 4 iterations. iteration 499: trace = 2.429160132528585 (1.25596e-07% change) linmin: converged after 5 iterations. iteration 500: trace = 2.429160127174188 (2.20422e-07% change) linmin: converged after 15 iterations. iteration 501: trace = 2.42916012447043 (1.11304e-07% change) large trace change predicted (2.90699e-07%) linmin: converged after 4 iterations. iteration 502: trace = 2.429160117408744 (2.90705e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.429160108499677 (3.66755e-07% change) linmin: converged after 4 iterations. iteration 504: trace = 2.429160103825152 (1.92434e-07% change) linmin: converged after 22 iterations. iteration 505: trace = 2.429160099153669 (1.92309e-07% change) linmin: converged after 3 iterations. iteration 506: trace = 2.429160090963177 (3.37174e-07% change) linmin: converged after 4 iterations. iteration 507: trace = 2.429160088234229 (1.12341e-07% change) large trace change predicted (2.71817e-07%) linmin: converged after 4 iterations. iteration 508: trace = 2.429160081631294 (2.7182e-07% change) linmin: converged after 10 iterations. iteration 509: trace = 2.429160076369425 (2.16613e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.42916007537568 (4.0909e-08% change) large trace change predicted (1.80675e-07%) linmin: converged after 7 iterations. iteration 511: trace = 2.429160070986754 (1.80677e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160069502704 (6.10931e-08% change) linmin: converged after 11 iterations. iteration 513: trace = 2.429160068463738 (4.27706e-08% change) linmin: converged after 3 iterations. iteration 514: trace = 2.429160067018492 (5.94957e-08% change) linmin: converged after 10 iterations. iteration 515: trace = 2.429160064542879 (1.01912e-07% change) linmin: converged after 4 iterations. iteration 516: trace = 2.429160063941327 (2.47638e-08% change) large trace change predicted (1.00353e-07%) linmin: converged after 6 iterations. iteration 517: trace = 2.429160061503613 (1.00352e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.429160058704158 (1.15244e-07% change) linmin: converged after 16 iterations. iteration 519: trace = 2.429160057073024 (6.7148e-08% change) large trace change predicted (2.09961e-07%) linmin: converged after 6 iterations. iteration 520: trace = 2.429160051972958 (2.09952e-07% change) linmin: converged after 14 iterations. iteration 521: trace = 2.42916004565771 (2.59977e-07% change) linmin: converged after 4 iterations. iteration 522: trace = 2.429160043960435 (6.98709e-08% change) large trace change predicted (2.72555e-07%) linmin: converged after 8 iterations. iteration 523: trace = 2.429160037340178 (2.72533e-07% change) linmin: converged after 5 iterations. iteration 524: trace = 2.429160034688008 (1.09181e-07% change) linmin: converged after 4 iterations. iteration 525: trace = 2.429160031625766 (1.26062e-07% change) linmin: converged after 4 iterations. iteration 526: trace = 2.429160027886346 (1.53939e-07% change) linmin: converged after 5 iterations. iteration 527: trace = 2.429160023363961 (1.86171e-07% change) linmin: converged after 11 iterations. iteration 528: trace = 2.429160022515203 (3.49404e-08% change) large trace change predicted (2.00565e-07%) linmin: converged after 5 iterations. iteration 529: trace = 2.429160017643345 (2.00557e-07% change) linmin: converged after 9 iterations. iteration 530: trace = 2.429160015747537 (7.80438e-08% change) linmin: converged after 5 iterations. iteration 531: trace = 2.429160014326304 (5.85072e-08% change) linmin: converged after 19 iterations. iteration 532: trace = 2.429160011810299 (1.03575e-07% change) linmin: converged after 5 iterations. iteration 533: trace = 2.429160010868896 (3.87543e-08% change) linmin: converged after 6 iterations. iteration 534: trace = 2.429160009239907 (6.70598e-08% change) linmin: converged after 7 iterations. iteration 535: trace = 2.429160007983214 (5.17337e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429160007440279 (2.23507e-08% change) large trace change predicted (7.16677e-08%) linmin: converged after 11 iterations. iteration 537: trace = 2.429160005699363 (7.16674e-08% change) linmin: converged after 26 iterations. iteration 538: trace = 2.429160004128013 (6.4687e-08% change) linmin: converged after 14 iterations. iteration 539: trace = 2.429160002857174 (5.2316e-08% change) linmin: converged after 5 iterations. iteration 540: trace = 2.429160000551932 (9.48987e-08% change) large trace change predicted (1.91181e-07%) linmin: converged after 5 iterations. iteration 541: trace = 2.429159995907722 (1.91186e-07% change) linmin: converged after 7 iterations. iteration 542: trace = 2.429159994695823 (4.98896e-08% change) large trace change predicted (2.14731e-07%) linmin: converged after 7 iterations. iteration 543: trace = 2.429159989479366 (2.14743e-07% change) linmin: converged after 9 iterations. iteration 544: trace = 2.429159985229934 (1.74934e-07% change) linmin: converged after 18 iterations. iteration 545: trace = 2.42915998278511 (1.00645e-07% change) linmin: converged after 13 iterations. iteration 546: trace = 2.429159978049862 (1.94934e-07% change) linmin: converged after 14 iterations. iteration 547: trace = 2.429159975196804 (1.1745e-07% change) linmin: converged after 33 iterations. iteration 548: trace = 2.429159973709783 (6.12154e-08% change) linmin: converged after 20 iterations. iteration 549: trace = 2.429159971584185 (8.75034e-08% change) linmin: converged after 11 iterations. iteration 550: trace = 2.429159969264703 (9.54849e-08% change) linmin: converged after 6 iterations. iteration 551: trace = 2.429159968467348 (3.28243e-08% change) large trace change predicted (1.12909e-07%) linmin: converged after 16 iterations. iteration 552: trace = 2.429159965724495 (1.12914e-07% change) linmin: converged after 6 iterations. iteration 553: trace = 2.429159965235681 (2.01228e-08% change) large trace change predicted (6.94136e-08%) linmin: converged after 5 iterations. iteration 554: trace = 2.429159963549488 (6.94147e-08% change) linmin: converged after 6 iterations. iteration 555: trace = 2.429159961671756 (7.72996e-08% change) linmin: converged after 2 iterations. iteration 556: trace = 2.429159960965859 (2.90593e-08% change) linmin: converged after 4 iterations. iteration 557: trace = 2.429159959627826 (5.50821e-08% change) linmin: converged after 5 iterations. iteration 558: trace = 2.429159958288871 (5.51201e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.429159957416444 (3.59147e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159956596737 (3.37445e-08% change) linmin: converged after 6 iterations. iteration 561: trace = 2.429159955405754 (4.90286e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159954358671 (4.31048e-08% change) linmin: converged after 12 iterations. iteration 563: trace = 2.429159953531636 (3.40461e-08% change) linmin: converged after 8 iterations. iteration 564: trace = 2.429159951961441 (6.46394e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159951176803 (3.23008e-08% change) linmin: converged after 24 iterations. iteration 566: trace = 2.429159950068134 (4.564e-08% change) large trace change predicted (9.27003e-08%) linmin: converged after 6 iterations. iteration 567: trace = 2.429159947816377 (9.26969e-08% change) linmin: converged after 27 iterations. iteration 568: trace = 2.429159947412238 (1.6637e-08% change) large trace change predicted (8.78643e-08%) linmin: converged after 11 iterations. iteration 569: trace = 2.429159945277919 (8.78624e-08% change) linmin: converged after 4 iterations. iteration 570: trace = 2.429159944099728 (4.8502e-08% change) linmin: converged after 9 iterations. iteration 571: trace = 2.429159943198907 (3.70837e-08% change) large trace change predicted (9.88231e-08%) linmin: converged after 5 iterations. iteration 572: trace = 2.429159940798389 (9.88209e-08% change) linmin: converged after 3 iterations. iteration 573: trace = 2.429159938137128 (1.09555e-07% change) linmin: converged after 6 iterations. iteration 574: trace = 2.429159937241446 (3.68721e-08% change) large trace change predicted (1.35424e-07%) linmin: converged after 4 iterations. iteration 575: trace = 2.42915993395195 (1.35417e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.42915993111759 (1.16681e-07% change) linmin: converged after 5 iterations. iteration 577: trace = 2.429159930421392 (2.866e-08% change) large trace change predicted (9.79505e-08%) linmin: converged after 24 iterations. iteration 578: trace = 2.429159928042031 (9.795e-08% change) linmin: converged after 11 iterations. iteration 579: trace = 2.429159926805127 (5.0919e-08% change) linmin: converged after 20 iterations. iteration 580: trace = 2.429159926269896 (2.20336e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159925418142 (3.50638e-08% change) linmin: converged after 20 iterations. iteration 582: trace = 2.429159924730182 (2.83209e-08% change) linmin: converged after 4 iterations. iteration 583: trace = 2.429159924429706 (1.23695e-08% change) linmin: converged after 9 iterations. iteration 584: trace = 2.429159923919711 (2.09947e-08% change) linmin: converged after 2 iterations. iteration 585: trace = 2.429159923203378 (2.94889e-08% change) linmin: converged after 4 iterations. iteration 586: trace = 2.429159922765189 (1.80387e-08% change) large trace change predicted (4.30001e-08%) linmin: converged after 7 iterations. iteration 587: trace = 2.429159921720636 (4.30006e-08% change) linmin: converged after 37 iterations. iteration 588: trace = 2.429159921163828 (2.29218e-08% change) linmin: converged after 6 iterations. iteration 589: trace = 2.429159920258967 (3.725e-08% change) large trace change predicted (8.42875e-08%) linmin: converged after 9 iterations. iteration 590: trace = 2.429159918211446 (8.42893e-08% change) linmin: converged after 17 iterations. iteration 591: trace = 2.429159917591819 (2.55079e-08% change) linmin: converged after 8 iterations. iteration 592: trace = 2.429159916575975 (4.18187e-08% change) linmin: converged after 11 iterations. iteration 593: trace = 2.429159915002029 (6.47939e-08% change) linmin: converged after 6 iterations. iteration 594: trace = 2.42915991360079 (5.76841e-08% change) linmin: converged after 4 iterations. iteration 595: trace = 2.429159913046244 (2.28287e-08% change) large trace change predicted (8.7202e-08%) linmin: converged after 2 iterations. iteration 596: trace = 2.429159910927889 (8.72052e-08% change) linmin: converged after 8 iterations. iteration 597: trace = 2.42915991010614 (3.38285e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159908984734 (4.61644e-08% change) linmin: converged after 8 iterations. iteration 599: trace = 2.429159907440497 (6.35708e-08% change) linmin: converged after 4 iterations. iteration 600: trace = 2.429159906685259 (3.10905e-08% change) linmin: converged after 9 iterations. iteration 601: trace = 2.429159906211599 (1.94989e-08% change) linmin: converged after 2 iterations. iteration 602: trace = 2.429159905491244 (2.96545e-08% change) linmin: converged after 8 iterations. iteration 603: trace = 2.42915990524682 (1.00621e-08% change) large trace change predicted (2.12022e-08%) linmin: converged after 5 iterations. iteration 604: trace = 2.429159904731788 (2.12021e-08% change) linmin: converged after 21 iterations. iteration 605: trace = 2.429159904342893 (1.60094e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159904160259 (7.5184e-09% change) linmin: converged after 2 iterations. iteration 607: trace = 2.429159903823793 (1.38511e-08% change) large trace change predicted (4.08504e-08%) linmin: converged after 15 iterations. iteration 608: trace = 2.429159902831479 (4.08501e-08% change) linmin: converged after 4 iterations. iteration 609: trace = 2.429159902610035 (9.11606e-09% change) large trace change predicted (4.04003e-08%) linmin: converged after 6 iterations. iteration 610: trace = 2.429159901628654 (4.04e-08% change) linmin: converged after 3 iterations. iteration 611: trace = 2.429159899994311 (6.72802e-08% change) linmin: converged after 5 iterations. iteration 612: trace = 2.429159899539302 (1.87311e-08% change) large trace change predicted (5.28313e-08%) linmin: converged after 8 iterations. iteration 613: trace = 2.429159898255975 (5.28301e-08% change) linmin: converged after 11 iterations. iteration 614: trace = 2.429159896819074 (5.91522e-08% change) linmin: converged after 6 iterations. iteration 615: trace = 2.429159896370622 (1.84612e-08% change) large trace change predicted (6.55355e-08%) linmin: converged after 4 iterations. iteration 616: trace = 2.429159894778699 (6.55339e-08% change) linmin: converged after 7 iterations. iteration 617: trace = 2.429159893647359 (4.65733e-08% change) linmin: converged after 3 iterations. iteration 618: trace = 2.429159893288551 (1.47709e-08% change) large trace change predicted (2.95992e-08%) linmin: converged after 19 iterations. iteration 619: trace = 2.429159892569539 (2.95992e-08% change) linmin: converged after 4 iterations. iteration 620: trace = 2.429159892018507 (2.2684e-08% change) linmin: converged after 3 iterations. iteration 621: trace = 2.429159891605825 (1.69886e-08% change) large trace change predicted (3.96878e-08%) linmin: converged after 22 iterations. iteration 622: trace = 2.429159890641753 (3.96875e-08% change) linmin: converged after 3 iterations. iteration 623: trace = 2.429159890460288 (7.47024e-09% change) large trace change predicted (2.26999e-08%) linmin: converged after 6 iterations. iteration 624: trace = 2.429159889908872 (2.26999e-08% change) linmin: converged after 16 iterations. iteration 625: trace = 2.429159889402892 (2.08294e-08% change) linmin: converged after 4 iterations. iteration 626: trace = 2.429159889028142 (1.54271e-08% change) linmin: converged after 13 iterations. iteration 627: trace = 2.429159888795211 (9.58895e-09% change) linmin: converged after 4 iterations. iteration 628: trace = 2.42915988842452 (1.526e-08% change) linmin: converged after 6 iterations. iteration 629: trace = 2.429159888115783 (1.27096e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 630: trace = 2.429159887816413 (1.2324e-08% change) linmin: converged after 4 iterations. iteration 631: trace = 2.429159887470353 (1.42461e-08% change) linmin: converged after 2 iterations. iteration 632: trace = 2.429159887254317 (8.89345e-09% change) linmin: converged after 6 iterations. iteration 633: trace = 2.429159886910556 (1.41514e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159886454745 (1.87642e-08% change) linmin: converged after 4 iterations. iteration 635: trace = 2.429159886006195 (1.84652e-08% change) linmin: converged after 11 iterations. iteration 636: trace = 2.429159885811264 (8.02463e-09% change) large trace change predicted (3.35845e-08%) linmin: converged after 4 iterations. iteration 637: trace = 2.429159884995435 (3.35848e-08% change) linmin: converged after 7 iterations. iteration 638: trace = 2.429159884647579 (1.432e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.42915988424149 (1.67173e-08% change) linmin: converged after 6 iterations. iteration 640: trace = 2.429159883709008 (2.19204e-08% change) linmin: converged after 3 iterations. iteration 641: trace = 2.429159883424433 (1.17149e-08% change) large trace change predicted (3.10623e-08%) linmin: converged after 8 iterations. iteration 642: trace = 2.429159882669876 (3.10625e-08% change) linmin: converged after 6 iterations. iteration 643: trace = 2.429159881695377 (4.01167e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159881435814 (1.06853e-08% change) large trace change predicted (3.8439e-08%) linmin: converged after 7 iterations. iteration 645: trace = 2.42915988050204 (3.84402e-08% change) linmin: converged after 6 iterations. iteration 646: trace = 2.429159879801734 (2.88291e-08% change) linmin: converged after 15 iterations. iteration 647: trace = 2.429159879530019 (1.11855e-08% change) large trace change predicted (3.35781e-08%) linmin: converged after 24 iterations. iteration 648: trace = 2.429159878714339 (3.35787e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159878351698 (1.49287e-08% change) linmin: converged after 4 iterations. iteration 650: trace = 2.429159878107845 (1.00386e-08% change) large trace change predicted (2.09143e-08%) linmin: converged after 3 iterations. iteration 651: trace = 2.429159877599794 (2.09147e-08% change) linmin: converged after 8 iterations. iteration 652: trace = 2.42915987745891 (5.79971e-09% change) linmin: converged after 6 iterations. iteration 653: trace = 2.429159877362534 (3.96749e-09% change) linmin: converged after 8 iterations. iteration 654: trace = 2.429159877180507 (7.49341e-09% change) linmin: converged after 4 iterations. iteration 655: trace = 2.429159876969136 (8.70138e-09% change) linmin: converged after 30 iterations. iteration 656: trace = 2.42915987683461 (5.53799e-09% change) large trace change predicted (1.305e-08%) linmin: converged after 22 iterations. iteration 657: trace = 2.429159876517605 (1.305e-08% change) linmin: converged after 6 iterations. iteration 658: trace = 2.429159876320386 (8.11882e-09% change) linmin: converged after 12 iterations. iteration 659: trace = 2.429159875984694 (1.38193e-08% change) linmin: converged after 32 iterations. iteration 660: trace = 2.429159875351353 (2.60724e-08% change) linmin: converged after 12 iterations. iteration 661: trace = 2.429159874906981 (1.82932e-08% change) linmin: converged after 4 iterations. iteration 662: trace = 2.429159874620468 (1.17948e-08% change) large trace change predicted (3.12057e-08%) linmin: converged after 6 iterations. iteration 663: trace = 2.429159873862451 (3.12049e-08% change) linmin: converged after 33 iterations. iteration 664: trace = 2.429159873333025 (2.17946e-08% change) linmin: converged after 4 iterations. iteration 665: trace = 2.42915987318921 (5.92039e-09% change) large trace change predicted (2.02752e-08%) linmin: converged after 4 iterations. iteration 666: trace = 2.429159872696697 (2.0275e-08% change) linmin: converged after 6 iterations. iteration 667: trace = 2.429159872369243 (1.34801e-08% change) linmin: converged after 22 iterations. iteration 668: trace = 2.429159872220555 (6.12095e-09% change) large trace change predicted (2.17611e-08%) linmin: converged after 20 iterations. iteration 669: trace = 2.429159871691948 (2.17609e-08% change) linmin: converged after 8 iterations. iteration 670: trace = 2.429159871509339 (7.51739e-09% change) linmin: converged after 5 iterations. iteration 671: trace = 2.429159871324948 (7.5907e-09% change) linmin: converged after 6 iterations. iteration 672: trace = 2.429159871046261 (1.14726e-08% change) linmin: converged after 6 iterations. iteration 673: trace = 2.429159870979598 (2.74429e-09% change) large trace change predicted (9.87777e-09%) linmin: converged after 14 iterations. iteration 674: trace = 2.429159870739648 (9.87789e-09% change) linmin: converged after 9 iterations. iteration 675: trace = 2.429159870622211 (4.83446e-09% change) linmin: converged after 17 iterations. iteration 676: trace = 2.429159870571939 (2.06953e-09% change) large trace change predicted (7.89677e-09%) linmin: converged after 13 iterations. iteration 677: trace = 2.429159870380114 (7.89677e-09% change) linmin: converged after 18 iterations. iteration 678: trace = 2.429159870278877 (4.16756e-09% change) large trace change predicted (8.72774e-09%) linmin: converged after 9 iterations. iteration 679: trace = 2.429159870066868 (8.72765e-09% change) linmin: converged after 5 iterations. iteration 680: trace = 2.429159869784201 (1.16364e-08% change) linmin: converged after 14 iterations. iteration 681: trace = 2.429159869303841 (1.97747e-08% change) linmin: converged after 4 iterations. iteration 682: trace = 2.429159869168235 (5.5824e-09% change) large trace change predicted (2.24759e-08%) linmin: converged after 4 iterations. iteration 683: trace = 2.429159868622251 (2.24763e-08% change) linmin: converged after 7 iterations. iteration 684: trace = 2.429159868045582 (2.37394e-08% change) linmin: converged after 25 iterations. iteration 685: trace = 2.429159867882034 (6.73269e-09% change) large trace change predicted (2.01606e-08%) linmin: converged after 17 iterations. iteration 686: trace = 2.429159867392292 (2.0161e-08% change) linmin: converged after 2 iterations. iteration 687: trace = 2.42915986716016 (9.55608e-09% change) linmin: converged after 12 iterations. iteration 688: trace = 2.429159866930997 (9.43383e-09% change) linmin: converged after 4 iterations. iteration 689: trace = 2.429159866702943 (9.38817e-09% change) linmin: converged after 6 iterations. iteration 690: trace = 2.429159866459649 (1.00156e-08% change) linmin: converged after 6 iterations. iteration 691: trace = 2.429159866363312 (3.96583e-09% change) large trace change predicted (1.2731e-08%) linmin: converged after 8 iterations. iteration 692: trace = 2.429159866054051 (1.27312e-08% change) linmin: converged after 4 iterations. iteration 693: trace = 2.429159865940831 (4.66089e-09% change) linmin: converged after 4 iterations. iteration 694: trace = 2.429159865823262 (4.83989e-09% change) linmin: converged after 6 iterations. iteration 695: trace = 2.429159865616148 (8.52617e-09% change) linmin: converged after 21 iterations. iteration 696: trace = 2.429159865525682 (3.72418e-09% change) linmin: converged after 7 iterations. iteration 697: trace = 2.429159865390214 (5.57671e-09% change) linmin: converged after 5 iterations. iteration 698: trace = 2.429159865248149 (5.84834e-09% change) linmin: converged after 4 iterations. iteration 699: trace = 2.429159865167317 (3.32758e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.429159865089742 (3.19348e-09% change) linmin: converged after 6 iterations. iteration 701: trace = 2.429159864960062 (5.33848e-09% change) linmin: converged after 2 iterations. iteration 702: trace = 2.429159864831269 (5.30194e-09% change) linmin: converged after 4 iterations. iteration 703: trace = 2.429159864748101 (3.42376e-09% change) large trace change predicted (7.45528e-09%) linmin: converged after 27 iterations. iteration 704: trace = 2.429159864567004 (7.45511e-09% change) linmin: converged after 4 iterations. iteration 705: trace = 2.429159864463329 (4.26793e-09% change) linmin: converged after 9 iterations. iteration 706: trace = 2.429159864362456 (4.15259e-09% change) large trace change predicted (1.04026e-08%) linmin: converged after 4 iterations. iteration 707: trace = 2.429159864109768 (1.04023e-08% change) linmin: converged after 22 iterations. iteration 708: trace = 2.429159864047058 (2.58154e-09% change) large trace change predicted (8.6444e-09%) linmin: converged after 9 iterations. iteration 709: trace = 2.429159863837075 (8.64429e-09% change) linmin: converged after 4 iterations. iteration 710: trace = 2.429159863713473 (5.08826e-09% change) linmin: converged after 3 iterations. iteration 711: trace = 2.429159863612178 (4.16994e-09% change) large trace change predicted (1.0899e-08%) linmin: converged after 10 iterations. iteration 712: trace = 2.429159863347424 (1.0899e-08% change) linmin: converged after 7 iterations. iteration 713: trace = 2.429159863065313 (1.16135e-08% change) linmin: converged after 6 iterations. iteration 714: trace = 2.429159862962845 (4.21828e-09% change) large trace change predicted (1.52882e-08%) linmin: converged after 19 iterations. iteration 715: trace = 2.429159862591477 (1.52879e-08% change) linmin: converged after 4 iterations. iteration 716: trace = 2.429159862393921 (8.13271e-09% change) linmin: converged after 4 iterations. iteration 717: trace = 2.429159862229183 (6.78169e-09% change) linmin: converged after 21 iterations. iteration 718: trace = 2.429159861953268 (1.13584e-08% change) linmin: converged after 15 iterations. iteration 719: trace = 2.429159861848269 (4.32243e-09% change) linmin: converged after 16 iterations. iteration 720: trace = 2.429159861790257 (2.38814e-09% change) large trace change predicted (5.32465e-09%) linmin: converged after 7 iterations. iteration 721: trace = 2.429159861660915 (5.32455e-09% change) linmin: converged after 4 iterations. iteration 722: trace = 2.429159861622802 (1.56898e-09% change) linmin: converged after 5 iterations. iteration 723: trace = 2.429159861552749 (2.88387e-09% change) linmin: converged after 5 iterations. iteration 724: trace = 2.429159861496005 (2.33595e-09% change) linmin: converged after 20 iterations. iteration 725: trace = 2.429159861435372 (2.49604e-09% change) linmin: converged after 11 iterations. iteration 726: trace = 2.429159861362959 (2.98096e-09% change) linmin: converged after 12 iterations. iteration 727: trace = 2.429159861244157 (4.89067e-09% change) linmin: converged after 13 iterations. iteration 728: trace = 2.429159861176194 (2.7978e-09% change) linmin: converged after 18 iterations. iteration 729: trace = 2.429159861082337 (3.86378e-09% change) large trace change predicted (9.08946e-09%) linmin: converged after 4 iterations. iteration 730: trace = 2.429159860861539 (9.08948e-09% change) linmin: converged after 5 iterations. iteration 731: trace = 2.429159860750388 (4.57568e-09% change) linmin: converged after 6 iterations. iteration 732: trace = 2.429159860675979 (3.06315e-09% change) large trace change predicted (7.00462e-09%) linmin: converged after 9 iterations. iteration 733: trace = 2.429159860505822 (7.00476e-09% change) linmin: converged after 23 iterations. iteration 734: trace = 2.429159860347231 (6.52865e-09% change) linmin: converged after 16 iterations. iteration 735: trace = 2.429159860277753 (2.86016e-09% change) large trace change predicted (9.7822e-09%) linmin: converged after 17 iterations. iteration 736: trace = 2.429159860040126 (9.7823e-09% change) linmin: converged after 4 iterations. iteration 737: trace = 2.429159859877982 (6.67487e-09% change) linmin: converged after 3 iterations. iteration 738: trace = 2.42915985981244 (2.69814e-09% change) large trace change predicted (6.45942e-09%) linmin: converged after 4 iterations. iteration 739: trace = 2.429159859655527 (6.45958e-09% change) linmin: converged after 4 iterations. iteration 740: trace = 2.429159859546672 (4.48115e-09% change) linmin: converged after 4 iterations. iteration 741: trace = 2.429159859512278 (1.41589e-09% change) large trace change predicted (3.19061e-09%) linmin: converged after 6 iterations. iteration 742: trace = 2.42915985943477 (3.19072e-09% change) linmin: converged after 16 iterations. iteration 743: trace = 2.429159859390403 (1.82646e-09% change) linmin: converged after 14 iterations. iteration 744: trace = 2.429159859347374 (1.77134e-09% change) linmin: converged after 9 iterations. iteration 745: trace = 2.429159859303535 (1.80469e-09% change) linmin: converged after 9 iterations. iteration 746: trace = 2.42915985928042 (9.51594e-10% change) linmin: converged after 2 iterations. iteration 747: trace = 2.429159859247502 (1.35511e-09% change) large trace change predicted (4.03353e-09%) linmin: converged after 29 iterations. iteration 748: trace = 2.429159859149524 (4.03341e-09% change) linmin: converged after 4 iterations. iteration 749: trace = 2.429159859121551 (1.15154e-09% change) large trace change predicted (4.80965e-09%) linmin: converged after 11 iterations. iteration 750: trace = 2.429159859004721 (4.80947e-09% change) linmin: converged after 12 iterations. iteration 751: trace = 2.429159858821194 (7.55518e-09% change) linmin: converged after 13 iterations. iteration 752: trace = 2.429159858758364 (2.58648e-09% change) large trace change predicted (6.94441e-09%) linmin: converged after 4 iterations. iteration 753: trace = 2.429159858589676 (6.9443e-09% change) linmin: converged after 5 iterations. iteration 754: trace = 2.429159858452216 (5.65876e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159858366181 (3.54177e-09% change) linmin: converged after 6 iterations. iteration 756: trace = 2.429159858256638 (4.5095e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.429159858120482 (5.60506e-09% change) linmin: converged after 4 iterations. iteration 758: trace = 2.429159858095943 (1.01015e-09% change) large trace change predicted (3.96556e-09%) linmin: converged after 5 iterations. iteration 759: trace = 2.429159857999622 (3.96521e-09% change) linmin: converged after 6 iterations. iteration 760: trace = 2.429159857929341 (2.89323e-09% change) linmin: converged after 18 iterations. iteration 761: trace = 2.429159857903314 (1.07143e-09% change) large trace change predicted (4.03523e-09%) linmin: converged after 6 iterations. iteration 762: trace = 2.42915985780529 (4.03533e-09% change) linmin: converged after 4 iterations. iteration 763: trace = 2.429159857760755 (1.83335e-09% change) linmin: converged after 2 iterations. iteration 764: trace = 2.42915985772241 (1.57851e-09% change) linmin: converged after 7 iterations. iteration 765: trace = 2.429159857663302 (2.43326e-09% change) linmin: converged after 6 iterations. iteration 766: trace = 2.429159857644877 (7.58503e-10% change) large trace change predicted (2.46912e-09%) linmin: converged after 4 iterations. iteration 767: trace = 2.429159857584895 (2.46926e-09% change) large trace change predicted (5.96729e-09%) linmin: converged after 4 iterations. iteration 768: trace = 2.429159857439942 (5.96722e-09% change) linmin: converged after 2 iterations. iteration 769: trace = 2.429159857238742 (8.2827e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.429159857094628 (5.93265e-09% change) linmin: converged after 6 iterations. iteration 771: trace = 2.42915985698633 (4.45824e-09% change) linmin: converged after 4 iterations. iteration 772: trace = 2.429159856922 (2.64824e-09% change) linmin: converged after 9 iterations. iteration 773: trace = 2.429159856911181 (4.45413e-10% change) large trace change predicted (2.97578e-09%) linmin: converged after 8 iterations. iteration 774: trace = 2.429159856838897 (2.97564e-09% change) linmin: converged after 20 iterations. iteration 775: trace = 2.429159856815614 (9.58486e-10% change) linmin: converged after 5 iterations. iteration 776: trace = 2.42915985679161 (9.88175e-10% change) large trace change predicted (2.53608e-09%) linmin: converged after 6 iterations. iteration 777: trace = 2.429159856730005 (2.53604e-09% change) linmin: converged after 15 iterations. iteration 778: trace = 2.429159856717989 (4.94682e-10% change) large trace change predicted (2.1093e-09%) linmin: converged after 4 iterations. iteration 779: trace = 2.429159856666756 (2.10907e-09% change) linmin: converged after 15 iterations. iteration 780: trace = 2.429159856604111 (2.57889e-09% change) linmin: converged after 7 iterations. iteration 781: trace = 2.429159856589389 (6.06017e-10% change) large trace change predicted (3.48481e-09%) linmin: converged after 29 iterations. iteration 782: trace = 2.429159856504744 (3.48456e-09% change) linmin: converged after 16 iterations. iteration 783: trace = 2.42915985642303 (3.36387e-09% change) linmin: converged after 14 iterations. iteration 784: trace = 2.429159856383901 (1.61081e-09% change) linmin: converged after 2 iterations. iteration 785: trace = 2.429159856318024 (2.71193e-09% change) linmin: converged after 6 iterations. iteration 786: trace = 2.429159856247912 (2.88628e-09% change) linmin: converged after 11 iterations. iteration 787: trace = 2.429159856204008 (1.80734e-09% change) linmin: converged after 8 iterations. iteration 788: trace = 2.429159856126602 (3.18654e-09% change) linmin: converged after 4 iterations. iteration 789: trace = 2.429159856098317 (1.16443e-09% change) linmin: converged after 9 iterations. iteration 790: trace = 2.429159856054735 (1.79412e-09% change) linmin: converged after 27 iterations. iteration 791: trace = 2.429159856000635 (2.2271e-09% change) linmin: converged after 5 iterations. iteration 792: trace = 2.429159855983098 (7.2194e-10% change) linmin: converged after 13 iterations. iteration 793: trace = 2.429159855973298 (4.0342e-10% change) large trace change predicted (9.57822e-10%) linmin: converged after 4 iterations. iteration 794: trace = 2.429159855950034 (9.577e-10% change) linmin: converged after 10 iterations. iteration 795: trace = 2.429159855928412 (8.90094e-10% change) linmin: converged after 4 iterations. iteration 796: trace = 2.42915985592277 (2.32249e-10% change) large trace change predicted (1.22839e-09%) linmin: converged after 4 iterations. iteration 797: trace = 2.429159855892934 (1.22827e-09% change) linmin: converged after 17 iterations. iteration 798: trace = 2.429159855879132 (5.68155e-10% change) linmin: converged after 14 iterations. iteration 799: trace = 2.429159855859948 (7.89747e-10% change) large trace change predicted (1.7133e-09%) linmin: converged after 15 iterations. iteration 800: trace = 2.429159855818334 (1.71311e-09% change) linmin: converged after 4 iterations. iteration 801: trace = 2.429159855795543 (9.38212e-10% change) linmin: converged after 3 iterations. iteration 802: trace = 2.429159855752548 (1.76995e-09% change) large trace change predicted (3.80926e-09%) linmin: converged after 6 iterations. iteration 803: trace = 2.429159855660015 (3.80928e-09% change) linmin: converged after 6 iterations. iteration 804: trace = 2.429159855578766 (3.34471e-09% change) linmin: converged after 14 iterations. iteration 805: trace = 2.429159855563564 (6.25816e-10% change) large trace change predicted (1.4738e-09%) linmin: converged after 8 iterations. iteration 806: trace = 2.429159855527761 (1.4739e-09% change) linmin: converged after 4 iterations. iteration 807: trace = 2.429159855489455 (1.57692e-09% change) linmin: converged after 7 iterations. iteration 808: trace = 2.429159855481289 (3.36162e-10% change) large trace change predicted (2.16936e-09%) linmin: converged after 17 iterations. iteration 809: trace = 2.429159855428589 (2.16948e-09% change) linmin: converged after 18 iterations. iteration 810: trace = 2.429159855402736 (1.06428e-09% change) linmin: converged after 4 iterations. iteration 811: trace = 2.429159855385816 (6.96547e-10% change) linmin: converged after 6 iterations. iteration 812: trace = 2.429159855353195 (1.34287e-09% change) linmin: converged after 9 iterations. iteration 813: trace = 2.429159855333879 (7.95195e-10% change) linmin: converged after 21 iterations. iteration 814: trace = 2.429159855326801 (2.91354e-10% change) linmin: converged after 18 iterations. iteration 815: trace = 2.429159855313208 (5.596e-10% change) linmin: converged after 18 iterations. iteration 816: trace = 2.429159855299694 (5.56291e-10% change) linmin: converged after 6 iterations. iteration 817: trace = 2.429159855292649 (2.90019e-10% change) large trace change predicted (7.90675e-10%) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855273443 (7.90679e-10% change) linmin: converged after 10 iterations. iteration 819: trace = 2.429159855268558 (2.01061e-10% change) large trace change predicted (1.04513e-09%) linmin: converged after 4 iterations. iteration 820: trace = 2.429159855243166 (1.04532e-09% change) linmin: converged after 4 iterations. iteration 821: trace = 2.429159855214978 (1.16041e-09% change) linmin: converged after 18 iterations. iteration 822: trace = 2.429159855196731 (7.51173e-10% change) large trace change predicted (2.19449e-09%) linmin: converged after 4 iterations. iteration 823: trace = 2.429159855143424 (2.19443e-09% change) linmin: converged after 16 iterations. iteration 824: trace = 2.429159855082654 (2.50169e-09% change) linmin: converged after 4 iterations. iteration 825: trace = 2.429159855040269 (1.74487e-09% change) linmin: converged after 8 iterations. iteration 826: trace = 2.429159855027224 (5.37004e-10% change) large trace change predicted (1.74027e-09%) linmin: converged after 6 iterations. iteration 827: trace = 2.429159854984952 (1.74021e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854959944 (1.02949e-09% change) linmin: converged after 7 iterations. iteration 829: trace = 2.429159854947652 (5.06016e-10% change) large trace change predicted (1.39227e-09%) linmin: converged after 7 iterations. iteration 830: trace = 2.429159854913824 (1.39258e-09% change) linmin: converged after 25 iterations. iteration 831: trace = 2.429159854893133 (8.5174e-10% change) linmin: converged after 10 iterations. iteration 832: trace = 2.429159854885193 (3.26893e-10% change) linmin: converged after 8 iterations. iteration 833: trace = 2.429159854870474 (6.05907e-10% change) linmin: converged after 4 iterations. iteration 834: trace = 2.429159854849558 (8.61063e-10% change) linmin: converged after 7 iterations. iteration 835: trace = 2.429159854841892 (3.15559e-10% change) large trace change predicted (8.47668e-10%) linmin: converged after 9 iterations. iteration 836: trace = 2.429159854821306 (8.47443e-10% change) linmin: converged after 7 iterations. iteration 837: trace = 2.429159854810562 (4.42323e-10% change) linmin: converged after 9 iterations. iteration 838: trace = 2.429159854804474 (2.50604e-10% change) large trace change predicted (2.07289e-09%) linmin: converged after 11 iterations. iteration 839: trace = 2.429159854754117 (2.07302e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.429159854738402 (6.46949e-10% change) linmin: converged after 14 iterations. iteration 841: trace = 2.429159854711593 (1.10361e-09% change) linmin: converged after 4 iterations. iteration 842: trace = 2.429159854705933 (2.33017e-10% change) large trace change predicted (5.67027e-10%) linmin: converged after 7 iterations. iteration 843: trace = 2.429159854692155 (5.67205e-10% change) linmin: converged after 12 iterations. iteration 844: trace = 2.42915985467826 (5.72013e-10% change) linmin: converged after 5 iterations. iteration 845: trace = 2.429159854670054 (3.37807e-10% change) large trace change predicted (6.85796e-10%) linmin: converged after 4 iterations. iteration 846: trace = 2.429159854653393 (6.85871e-10% change) linmin: converged after 6 iterations. iteration 847: trace = 2.429159854641513 (4.89051e-10% change) linmin: converged after 9 iterations. iteration 848: trace = 2.429159854636555 (2.04114e-10% change) large trace change predicted (8.09136e-10%) linmin: converged after 19 iterations. iteration 849: trace = 2.429159854616902 (8.09034e-10% change) linmin: converged after 6 iterations. iteration 850: trace = 2.429159854596621 (8.34902e-10% change) linmin: converged after 7 iterations. iteration 851: trace = 2.429159854593038 (1.47478e-10% change) large trace change predicted (9.46565e-10%) linmin: converged after 20 iterations. iteration 852: trace = 2.429159854570045 (9.46566e-10% change) linmin: converged after 6 iterations. iteration 853: trace = 2.429159854546987 (9.49217e-10% change) linmin: converged after 20 iterations. iteration 854: trace = 2.429159854540132 (2.82176e-10% change) large trace change predicted (1.43956e-09%) linmin: converged after 27 iterations. iteration 855: trace = 2.42915985450516 (1.43968e-09% change) linmin: converged after 3 iterations. iteration 856: trace = 2.4291598544737 (1.29512e-09% change) linmin: converged after 6 iterations. iteration 857: trace = 2.429159854467288 (2.6395e-10% change) large trace change predicted (1.06904e-09%) linmin: converged after 5 iterations. iteration 858: trace = 2.429159854441324 (1.06885e-09% change) linmin: converged after 3 iterations. iteration 859: trace = 2.429159854428717 (5.18978e-10% change) linmin: converged after 8 iterations. iteration 860: trace = 2.429159854422946 (2.37588e-10% change) linmin: converged after 3 iterations. iteration 861: trace = 2.429159854413211 (4.00733e-10% change) linmin: converged after 7 iterations. iteration 862: trace = 2.429159854404246 (3.69051e-10% change) linmin: converged after 7 iterations. iteration 863: trace = 2.429159854402552 (6.97626e-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: 9.374943256378174 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380334001058 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814120900172 (0.435164% change) linmin: converged after 3 iterations. iteration 3: trace = 2.410436566889014 (0.512183% change) linmin: converged after 3 iterations. iteration 4: trace = 2.40473757331935 (0.23671% change) linmin: converged after 4 iterations. iteration 5: trace = 2.40292149660318 (0.0755493% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560406827059 (0.0566592% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273659965019 (0.0119407% change) large trace change predicted (0.0255599%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660476722829 (0.025539% change) linmin: converged after 3 iterations. iteration 9: trace = 2.400394266520945 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303580382643 (0.00377804% change) linmin: converged after 3 iterations. iteration 11: trace = 2.400130208641904 (0.00722317% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008451798956 (0.00507306% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912639392172 (0.00399225% change) large trace change predicted (0.010264%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666188733202 (0.0102697% change) linmin: converged after 3 iterations. iteration 15: trace = 2.39955692022115 (0.00455359% change) linmin: converged after 4 iterations. iteration 16: trace = 2.39937194380542 (0.00770907% change) linmin: converged after 5 iterations. iteration 17: trace = 2.399289132121861 (0.00345145% change) large trace change predicted (0.0078232%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101402877164 (0.00782468% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879637504584 (0.00924411% change) linmin: converged after 3 iterations. iteration 20: trace = 2.398649920836394 (0.00957646% change) large trace change predicted (0.0239446%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075337578687 (0.0239573% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887165307929 (0.00784711% change) linmin: converged after 4 iterations. iteration 23: trace = 2.39752234178346 (0.0152155% change) linmin: converged after 3 iterations. iteration 24: trace = 2.397281882091314 (0.01003% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981297207709 (0.0125394% change) linmin: converged after 4 iterations. iteration 26: trace = 2.39671567501861 (0.0110821% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618646471448 (0.00404848% change) large trace change predicted (0.00900777%) linmin: converged after 5 iterations. iteration 28: trace = 2.396402881179904 (0.00900331% change) linmin: converged after 14 iterations. iteration 29: trace = 2.396349216814284 (0.0022394% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256468358007 (0.00387048% change) linmin: converged after 5 iterations. iteration 31: trace = 2.396207685208193 (0.00203583% change) linmin: converged after 5 iterations. iteration 32: trace = 2.396167679368522 (0.00166956% change) large trace change predicted (0.00396774%) linmin: converged after 4 iterations. iteration 33: trace = 2.396072612637924 (0.00396753% change) linmin: converged after 9 iterations. iteration 34: trace = 2.396038804498737 (0.00141099% change) large trace change predicted (0.00652578%) linmin: converged after 5 iterations. iteration 35: trace = 2.395882499252322 (0.0065237% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832697156031 (0.00207868% change) large trace change predicted (0.00897496%) linmin: converged after 3 iterations. iteration 37: trace = 2.395617683199259 (0.0089749% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533948567074 (0.00349539% change) large trace change predicted (0.00705156%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364984117928 (0.00705356% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255890697431 (0.00455446% change) linmin: converged after 5 iterations. iteration 41: trace = 2.395086689417912 (0.00706427% change) linmin: converged after 5 iterations. iteration 42: trace = 2.395028303785505 (0.00243775% change) large trace change predicted (0.00633217%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876588936098 (0.00633478% change) linmin: converged after 3 iterations. iteration 44: trace = 2.394823853812241 (0.00220202% change) large trace change predicted (0.0078471%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635917729797 (0.0078479% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551800944736 (0.00351278% change) large trace change predicted (0.00730833%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376668831635 (0.00731404% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320501052743 (0.00234585% change) large trace change predicted (0.00692688%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154619596903 (0.00692836% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120847823602 (0.0014106% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082501309192 (0.00160171% change) linmin: converged after 4 iterations. iteration 52: trace = 2.394061925395066 (0.000859453% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035886339189 (0.00108766% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025518568839 (0.000433068% change) large trace change predicted (0.001063%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000061012869 (0.00106338% change) linmin: converged after 3 iterations. iteration 56: trace = 2.393990095546962 (0.000416269% change) large trace change predicted (0.00147025%) linmin: converged after 4 iterations. iteration 57: trace = 2.393954900475735 (0.00147015% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941192400031 (0.000572614% change) large trace change predicted (0.00230739%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885952600912 (0.00230751% change) linmin: converged after 3 iterations. iteration 60: trace = 2.393857135150089 (0.0012038% change) large trace change predicted (0.00352479%) linmin: converged after 4 iterations. iteration 61: trace = 2.393772816171429 (0.00352237% change) linmin: converged after 7 iterations. iteration 62: trace = 2.393670574980879 (0.00427122% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605483191326 (0.00271937% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393487643446612 (0.00492323% change) linmin: converged after 4 iterations. iteration 65: trace = 2.393448282776938 (0.0016445% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405453250722 (0.00178946% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393387984797421 (0.00072986% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359859337499 (0.00117514% change) linmin: converged after 3 iterations. iteration 69: trace = 2.393348436296096 (0.000477282% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343803509867 (0.000193569% change) linmin: converged after 6 iterations. iteration 71: trace = 2.39333633754396 (0.000311948% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333574780349 (0.000115436% change) linmin: converged after 5 iterations. iteration 73: trace = 2.393329113126892 (0.00018642% change) large trace change predicted (0.000414151%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319200860372 (0.000414163% change) linmin: converged after 4 iterations. iteration 75: trace = 2.393315922571793 (0.000136977% change) large trace change predicted (0.000437881%) linmin: converged after 2 iterations. iteration 76: trace = 2.393305442562901 (0.000437888% change) linmin: converged after 4 iterations. iteration 77: trace = 2.393296526311778 (0.00037255% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291383264614 (0.000214894% change) large trace change predicted (0.000432096%) linmin: converged after 4 iterations. iteration 79: trace = 2.393281040861234 (0.000432142% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393276733051291 (0.000179996% change) large trace change predicted (0.000405177%) linmin: converged after 4 iterations. iteration 81: trace = 2.393267031886336 (0.000405352% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393257178174236 (0.000411727% change) large trace change predicted (0.000847069%) linmin: converged after 5 iterations. iteration 83: trace = 2.393236908244416 (0.000846964% change) linmin: converged after 4 iterations. iteration 84: trace = 2.39322940114331 (0.00031368% change) large trace change predicted (0.000999198%) linmin: converged after 4 iterations. iteration 85: trace = 2.3932054823321 (0.000999442% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393198653070165 (0.000285361% change) large trace change predicted (0.000606869%) linmin: converged after 5 iterations. iteration 87: trace = 2.39318413212868 (0.000606761% change) linmin: converged after 3 iterations. iteration 88: trace = 2.393179985181788 (0.000173282% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172737370381 (0.000302853% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169686784989 (0.00012747% change) linmin: converged after 5 iterations. iteration 91: trace = 2.393167213070611 (0.000103366% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163654618589 (0.000148692% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162857070304 (3.33261e-05% change) large trace change predicted (7.25013e-05%) linmin: converged after 4 iterations. iteration 94: trace = 2.393161121675269 (7.25147e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 2.393159436351255 (7.04225e-05% change) linmin: converged after 5 iterations. iteration 96: trace = 2.393158594692987 (3.51693e-05% change) large trace change predicted (8.80407e-05%) linmin: converged after 3 iterations. iteration 97: trace = 2.393156487847031 (8.80362e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.393155216533169 (5.31229e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393154123307495 (4.56814e-05% change) large trace change predicted (0.000115809%) linmin: converged after 4 iterations. iteration 100: trace = 2.393151351507441 (0.000115822% change) linmin: converged after 4 iterations. iteration 101: trace = 2.393149903374757 (6.05116e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.39314889653737 (4.20716e-05% change) large trace change predicted (0.000115935%) linmin: converged after 3 iterations. iteration 103: trace = 2.393146122365026 (0.000115921% change) linmin: converged after 3 iterations. iteration 104: trace = 2.393143971150448 (8.98907e-05% change) linmin: converged after 6 iterations. iteration 105: trace = 2.39314298123812 (4.13645e-05% change) large trace change predicted (8.63174e-05%) linmin: converged after 4 iterations. iteration 106: trace = 2.393140915426054 (8.63222e-05% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393138321579523 (0.000108387% change) linmin: converged after 4 iterations. iteration 108: trace = 2.393137145765085 (4.91328e-05% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393135539288275 (6.71285e-05% change) linmin: converged after 5 iterations. iteration 110: trace = 2.39313235550958 (0.000133038% change) linmin: converged after 3 iterations. iteration 111: trace = 2.393130552754772 (7.53304e-05% change) linmin: converged after 5 iterations. iteration 112: trace = 2.393129583664249 (4.04947e-05% change) large trace change predicted (8.57518e-05%) linmin: converged after 4 iterations. iteration 113: trace = 2.393127531391962 (8.57569e-05% change) linmin: converged after 2 iterations. iteration 114: trace = 2.393124397361555 (0.00013096% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122740102165 (6.92509e-05% change) linmin: converged after 4 iterations. iteration 116: trace = 2.393121210906954 (6.38996e-05% change) large trace change predicted (0.000152434%) linmin: converged after 5 iterations. iteration 117: trace = 2.393117563323315 (0.00015242% change) linmin: converged after 3 iterations. iteration 118: trace = 2.393113803468161 (0.000157111% change) linmin: converged after 6 iterations. iteration 119: trace = 2.393112206709504 (6.67231e-05% change) linmin: converged after 2 iterations. iteration 120: trace = 2.393110537003783 (6.97713e-05% change) large trace change predicted (0.000145774%) linmin: converged after 4 iterations. iteration 121: trace = 2.393107048081158 (0.00014579% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393104307155436 (0.000114534% change) linmin: converged after 4 iterations. iteration 123: trace = 2.393103047657184 (5.26303e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.393101253467948 (7.49734e-05% change) linmin: converged after 5 iterations. iteration 125: trace = 2.393098184765513 (0.000128231% change) linmin: converged after 5 iterations. iteration 126: trace = 2.393096501396676 (7.03427e-05% change) linmin: converged after 11 iterations. iteration 127: trace = 2.39309559547969 (3.78554e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 2.393093846047042 (7.31034e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393091646743321 (9.19022e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 2.393090789857246 (3.58067e-05% change) linmin: converged after 5 iterations. iteration 131: trace = 2.393090189011007 (2.51075e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393089017566663 (4.89511e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.393088198013874 (3.42467e-05% change) linmin: converged after 7 iterations. iteration 134: trace = 2.393087928101925 (1.12788e-05% change) linmin: converged after 4 iterations. iteration 135: trace = 2.393087601924126 (1.363e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393087118039813 (2.02201e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.393086884765288 (9.74785e-06% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393086652347733 (9.71204e-06% change) large trace change predicted (2.49266e-05%) linmin: converged after 8 iterations. iteration 139: trace = 2.393086055854821 (2.49257e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.393085562855157 (2.0601e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393084909614247 (2.7297e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393084365892308 (2.27205e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083725010043 (2.67806e-05% change) large trace change predicted (7.23037e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393081994634637 (7.23074e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.393081000050482 (4.15608e-05% change) large trace change predicted (8.63443e-05%) linmin: converged after 3 iterations. iteration 146: trace = 2.393078933498804 (8.63553e-05% change) linmin: converged after 3 iterations. iteration 147: trace = 2.393076715924253 (9.26662e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393075960682921 (3.15594e-05% change) large trace change predicted (7.61286e-05%) linmin: converged after 4 iterations. iteration 149: trace = 2.393074138964846 (7.61246e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.393073005915984 (4.7347e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072203451577 (3.35328e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 2.393070872866387 (5.56016e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.393070515939888 (1.4915e-05% change) large trace change predicted (4.09271e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393069536447931 (4.09304e-05% change) linmin: converged after 3 iterations. iteration 155: trace = 2.393069079547356 (1.90927e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393068342488719 (3.07997e-05% change) linmin: converged after 6 iterations. iteration 157: trace = 2.393067791380601 (2.30294e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.393067523337205 (1.12008e-05% change) large trace change predicted (2.82988e-05%) linmin: converged after 3 iterations. iteration 159: trace = 2.393066846149569 (2.82979e-05% change) linmin: converged after 12 iterations. iteration 160: trace = 2.393066461392689 (1.6078e-05% change) linmin: converged after 2 iterations. iteration 161: trace = 2.393066004233861 (1.91035e-05% change) linmin: converged after 7 iterations. iteration 162: trace = 2.39306526279476 (3.09828e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.393064929210362 (1.39396e-05% change) large trace change predicted (2.9786e-05%) linmin: converged after 5 iterations. iteration 164: trace = 2.393064216481418 (2.97831e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.393063165606105 (4.39134e-05% change) linmin: converged after 2 iterations. iteration 166: trace = 2.393062044950138 (4.68294e-05% change) large trace change predicted (0.000110427%) linmin: converged after 3 iterations. iteration 167: trace = 2.393059402646152 (0.000110415% change) linmin: converged after 4 iterations. iteration 168: trace = 2.393058385133509 (4.25193e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 2.393056449498093 (8.08855e-05% change) linmin: converged after 5 iterations. iteration 170: trace = 2.393055697587648 (3.14205e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.393054575740568 (4.68793e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.39305364262765 (3.89926e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.393053122295524 (2.17434e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.393052506420815 (2.57359e-05% change) linmin: converged after 5 iterations. iteration 175: trace = 2.393052333837468 (7.21185e-06% change) large trace change predicted (2.88186e-05%) linmin: converged after 2 iterations. iteration 176: trace = 2.393051644188343 (2.88188e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.393051484206724 (6.68526e-06% change) large trace change predicted (1.41063e-05%) linmin: converged after 4 iterations. iteration 178: trace = 2.393051146649595 (1.41057e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 2.393050997479043 (6.23349e-06% change) linmin: converged after 2 iterations. iteration 180: trace = 2.393050799444329 (8.27541e-06% change) linmin: converged after 6 iterations. iteration 181: trace = 2.393050733484155 (2.75632e-06% change) large trace change predicted (6.50218e-06%) linmin: converged after 4 iterations. iteration 182: trace = 2.393050577884425 (6.50215e-06% change) linmin: converged after 2 iterations. iteration 183: trace = 2.393050525144069 (2.2039e-06% change) large trace change predicted (8.07211e-06%) linmin: converged after 2 iterations. iteration 184: trace = 2.393050331972719 (8.07218e-06% change) linmin: converged after 3 iterations. iteration 185: trace = 2.393050241073104 (3.79848e-06% change) large trace change predicted (1.18649e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049957156656 (1.18642e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.39304943472495 (2.18312e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.393048773789746 (2.7619e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.393047770703445 (4.19167e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.393047231831275 (2.25182e-05% change) large trace change predicted (5.30191e-05%) linmin: converged after 2 iterations. iteration 191: trace = 2.393045963047828 (5.30196e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.393045420463792 (2.26734e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.393044633149338 (3.29001e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.393044349088148 (1.18703e-05% change) large trace change predicted (2.45279e-05%) linmin: converged after 2 iterations. iteration 195: trace = 2.393043762108748 (2.45286e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.393043628748595 (5.57283e-06% change) linmin: converged after 3 iterations. iteration 197: trace = 2.393043465572715 (6.81876e-06% change) linmin: converged after 2 iterations. iteration 198: trace = 2.393043381612864 (3.5085e-06% change) linmin: converged after 2 iterations. iteration 199: trace = 2.393043337585901 (1.83979e-06% change) linmin: converged after 2 iterations. iteration 200: trace = 2.393043272449755 (2.7219e-06% change) linmin: converged after 5 iterations. iteration 201: trace = 2.393043248432888 (1.00361e-06% change) large trace change predicted (2.30584e-06%) linmin: converged after 3 iterations. iteration 202: trace = 2.393043193253975 (2.30581e-06% change) linmin: converged after 2 iterations. iteration 203: trace = 2.393043174813176 (7.706e-07% change) large trace change predicted (1.79436e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393043131873066 (1.79437e-06% change) linmin: converged after 2 iterations. iteration 205: trace = 2.393043099213617 (1.36477e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.3930430433481 (2.3345e-06% change) large trace change predicted (5.32768e-06%) linmin: converged after 3 iterations. iteration 207: trace = 2.393042915856923 (5.32758e-06% change) linmin: converged after 18 iterations. iteration 208: trace = 2.393042878710534 (1.55227e-06% change) large trace change predicted (5.33488e-06%) linmin: converged after 2 iterations. iteration 209: trace = 2.393042751043576 (5.33492e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.393042682531553 (2.86297e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.393042632020884 (2.11073e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.393042584743808 (1.97561e-06% change) linmin: converged after 11 iterations. iteration 213: trace = 2.393042551843017 (1.37485e-06% change) large trace change predicted (2.77369e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.393042485467213 (2.7737e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.393042466862226 (7.77462e-07% change) large trace change predicted (2.72507e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393042401649934 (2.72508e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 2.393042367316074 (1.43474e-06% change) linmin: converged after 4 iterations. iteration 218: trace = 2.39304232693094 (1.68761e-06% change) linmin: converged after 2 iterations. iteration 219: trace = 2.39304226347258 (2.65179e-06% change) linmin: converged after 4 iterations. iteration 220: trace = 2.393042240219196 (9.71708e-07% change) large trace change predicted (3.23766e-06%) linmin: converged after 2 iterations. iteration 221: trace = 2.393042162740282 (3.23767e-06% change) linmin: converged after 2 iterations. iteration 222: trace = 2.39304213510732 (1.15472e-06% change) large trace change predicted (3.17002e-06%) linmin: converged after 2 iterations. iteration 223: trace = 2.393042059246095 (3.17007e-06% change) linmin: converged after 2 iterations. iteration 224: trace = 2.393042005641841 (2.24e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041931513852 (3.09765e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041838259316 (3.8969e-06% change) linmin: converged after 2 iterations. iteration 227: trace = 2.393041783415188 (2.29182e-06% change) linmin: converged after 4 iterations. iteration 228: trace = 2.393041675850994 (4.49487e-06% change) linmin: converged after 10 iterations. iteration 229: trace = 2.393041652752178 (9.65249e-07% change) large trace change predicted (3.04594e-06%) linmin: converged after 2 iterations. iteration 230: trace = 2.393041579861416 (3.04595e-06% change) linmin: converged after 5 iterations. iteration 231: trace = 2.393041562526459 (7.2439e-07% change) linmin: converged after 4 iterations. iteration 232: trace = 2.393041532692326 (1.2467e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.393041520821248 (4.96067e-07% change) linmin: converged after 2 iterations. iteration 234: trace = 2.39304150641772 (6.01892e-07% change) linmin: converged after 23 iterations. iteration 235: trace = 2.393041498743052 (3.20708e-07% change) large trace change predicted (7.54926e-07%) linmin: converged after 3 iterations. iteration 236: trace = 2.39304148067747 (7.54921e-07% change) linmin: converged after 24 iterations. iteration 237: trace = 2.393041473217683 (3.11728e-07% change) linmin: converged after 2 iterations. iteration 238: trace = 2.393041464740854 (3.54228e-07% change) linmin: converged after 2 iterations. iteration 239: trace = 2.393041454842371 (4.13636e-07% change) linmin: converged after 4 iterations. iteration 240: trace = 2.393041447824304 (2.9327e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041437545587 (4.29525e-07% change) linmin: converged after 2 iterations. iteration 242: trace = 2.393041419763479 (7.43076e-07% change) linmin: converged after 3 iterations. iteration 243: trace = 2.393041400393929 (8.09411e-07% change) linmin: converged after 13 iterations. iteration 244: trace = 2.393041375372638 (1.04559e-06% change) linmin: converged after 2 iterations. iteration 245: trace = 2.393041351338395 (1.00434e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.393041328413503 (9.57981e-07% change) linmin: converged after 2 iterations. iteration 247: trace = 2.393041294459552 (1.41886e-06% change) linmin: converged after 25 iterations. iteration 248: trace = 2.393041272447912 (9.19819e-07% change) linmin: converged after 3 iterations. iteration 249: trace = 2.393041229144649 (1.80955e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393041203096475 (1.0885e-06% change) large trace change predicted (2.54435e-06%) linmin: converged after 2 iterations. iteration 251: trace = 2.393041142207562 (2.54442e-06% change) linmin: converged after 4 iterations. iteration 252: trace = 2.393041112740729 (1.23136e-06% change) large trace change predicted (3.76836e-06%) linmin: converged after 3 iterations. iteration 253: trace = 2.393041022563503 (3.76831e-06% change) linmin: converged after 2 iterations. iteration 254: trace = 2.393040996399786 (1.09333e-06% change) large trace change predicted (2.40831e-06%) linmin: converged after 2 iterations. iteration 255: trace = 2.393040938766354 (2.40838e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040898593663 (1.67873e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.393040880270981 (7.65665e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040853103897 (1.13525e-06% change) linmin: converged after 15 iterations. iteration 259: trace = 2.39304084586354 (3.02559e-07% change) linmin: converged after 2 iterations. iteration 260: trace = 2.393040832703155 (5.49944e-07% change) linmin: converged after 3 iterations. iteration 261: trace = 2.39304082847714 (1.76596e-07% change) large trace change predicted (4.57661e-07%) linmin: converged after 3 iterations. iteration 262: trace = 2.393040817525175 (4.57659e-07% change) linmin: converged after 2 iterations. iteration 263: trace = 2.393040812661032 (2.03262e-07% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040804416025 (3.44541e-07% change) linmin: converged after 4 iterations. iteration 265: trace = 2.3930407897682 (6.12101e-07% change) linmin: converged after 13 iterations. iteration 266: trace = 2.39304078167585 (3.38162e-07% change) large trace change predicted (8.77822e-07%) linmin: converged after 4 iterations. iteration 267: trace = 2.393040760669343 (8.77817e-07% change) linmin: converged after 9 iterations. iteration 268: trace = 2.393040747043484 (5.69395e-07% change) large trace change predicted (1.56632e-06%) linmin: converged after 2 iterations. iteration 269: trace = 2.393040709560564 (1.56633e-06% change) linmin: converged after 5 iterations. iteration 270: trace = 2.39304069444584 (6.31612e-07% change) large trace change predicted (2.8346e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.393040626612974 (2.83459e-06% change) linmin: converged after 26 iterations. iteration 272: trace = 2.393040600577518 (1.08797e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.393040561503387 (1.63282e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.393040523611208 (1.58343e-06% change) linmin: converged after 5 iterations. iteration 275: trace = 2.393040505829853 (7.43044e-07% change) linmin: converged after 26 iterations. iteration 276: trace = 2.393040478193678 (1.15486e-06% change) linmin: converged after 5 iterations. iteration 277: trace = 2.393040469773829 (3.51847e-07% change) large trace change predicted (8.93666e-07%) linmin: converged after 2 iterations. iteration 278: trace = 2.393040448388008 (8.93667e-07% change) linmin: converged after 3 iterations. iteration 279: trace = 2.393040437707681 (4.46308e-07% change) resetting CG direction... linmin: converged after 25 iterations. iteration 280: trace = 2.393040422824531 (6.21935e-07% change) linmin: converged after 30 iterations. iteration 281: trace = 2.393040417741334 (2.12416e-07% change) large trace change predicted (5.38869e-07%) linmin: converged after 11 iterations. iteration 282: trace = 2.393040404846077 (5.38865e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 2.393040392163988 (5.29957e-07% change) linmin: converged after 3 iterations. iteration 284: trace = 2.393040382830372 (3.90032e-07% change) large trace change predicted (9.98278e-07%) linmin: converged after 2 iterations. iteration 285: trace = 2.393040358940941 (9.98288e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393040352969697 (2.49525e-07% change) large trace change predicted (8.81886e-07%) linmin: converged after 2 iterations. iteration 287: trace = 2.393040331865675 (8.81892e-07% change) linmin: converged after 3 iterations. iteration 288: trace = 2.393040322310266 (3.993e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.393040315738013 (2.7464e-07% change) large trace change predicted (7.99354e-07%) linmin: converged after 2 iterations. iteration 290: trace = 2.393040296609034 (7.99359e-07% change) linmin: converged after 2 iterations. iteration 291: trace = 2.393040290602281 (2.51009e-07% change) large trace change predicted (8.79957e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393040269544496 (8.79959e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 2.393040250300922 (8.04147e-07% change) linmin: converged after 2 iterations. iteration 294: trace = 2.393040228687082 (9.03196e-07% change) linmin: converged after 4 iterations. iteration 295: trace = 2.393040195097845 (1.40362e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.393040177765652 (7.24275e-07% change) linmin: converged after 2 iterations. iteration 297: trace = 2.393040150163134 (1.15345e-06% change) linmin: converged after 2 iterations. iteration 298: trace = 2.393040138542618 (4.85596e-07% change) linmin: converged after 13 iterations. iteration 299: trace = 2.393040129222514 (3.89467e-07% change) linmin: converged after 2 iterations. iteration 300: trace = 2.393040122874686 (2.65262e-07% change) linmin: converged after 9 iterations. iteration 301: trace = 2.393040118677389 (1.75396e-07% change) linmin: converged after 2 iterations. iteration 302: trace = 2.393040112872311 (2.42582e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 2.393040110087278 (1.16381e-07% change) large trace change predicted (3.78566e-07%) linmin: converged after 6 iterations. iteration 304: trace = 2.393040101028137 (3.78562e-07% change) linmin: converged after 2 iterations. iteration 305: trace = 2.393040093292097 (3.23273e-07% change) linmin: converged after 3 iterations. iteration 306: trace = 2.393040087574241 (2.38937e-07% change) large trace change predicted (5.70076e-07%) linmin: converged after 3 iterations. iteration 307: trace = 2.393040073932222 (5.70071e-07% change) linmin: converged after 3 iterations. iteration 308: trace = 2.393040069978117 (1.65234e-07% change) large trace change predicted (4.50665e-07%) linmin: converged after 2 iterations. iteration 309: trace = 2.393040059193514 (4.50665e-07% change) linmin: converged after 2 iterations. iteration 310: trace = 2.393040048053695 (4.65509e-07% change) linmin: converged after 10 iterations. iteration 311: trace = 2.393040039035492 (3.76851e-07% change) large trace change predicted (9.43146e-07%) linmin: converged after 4 iterations. iteration 312: trace = 2.393040016465666 (9.43145e-07% change) linmin: converged after 2 iterations. iteration 313: trace = 2.393040007053929 (3.93296e-07% change) large trace change predicted (9.79196e-07%) linmin: converged after 2 iterations. iteration 314: trace = 2.393039983621352 (9.79197e-07% change) linmin: converged after 6 iterations. iteration 315: trace = 2.393039977706254 (2.47179e-07% change) linmin: converged after 11 iterations. iteration 316: trace = 2.393039967277414 (4.35799e-07% change) linmin: converged after 4 iterations. iteration 317: trace = 2.393039957479109 (4.0945e-07% change) linmin: converged after 2 iterations. iteration 318: trace = 2.393039949877143 (3.1767e-07% change) linmin: converged after 4 iterations. iteration 319: trace = 2.393039945524878 (1.81872e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.393039940732552 (2.00261e-07% change) linmin: converged after 2 iterations. iteration 321: trace = 2.393039938884923 (7.72085e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039936632442 (9.41264e-08% change) linmin: converged after 4 iterations. iteration 323: trace = 2.393039935445988 (4.95794e-08% change) linmin: converged after 23 iterations. iteration 324: trace = 2.393039933630735 (7.58555e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039931681051 (8.14731e-08% change) linmin: converged after 2 iterations. iteration 326: trace = 2.393039929166843 (1.05063e-07% change) linmin: converged after 2 iterations. iteration 327: trace = 2.393039925972575 (1.33482e-07% change) large trace change predicted (3.59961e-07%) linmin: converged after 3 iterations. iteration 328: trace = 2.39303991735859 (3.5996e-07% change) linmin: converged after 11 iterations. iteration 329: trace = 2.393039911182665 (2.58079e-07% change) large trace change predicted (6.44312e-07%) linmin: converged after 2 iterations. iteration 330: trace = 2.393039895763994 (6.44313e-07% change) linmin: converged after 2 iterations. iteration 331: trace = 2.393039885339518 (4.35616e-07% change) linmin: converged after 23 iterations. iteration 332: trace = 2.393039865218704 (8.40806e-07% change) linmin: converged after 4 iterations. iteration 333: trace = 2.393039852827088 (5.17819e-07% change) linmin: converged after 2 iterations. iteration 334: trace = 2.393039835816915 (7.10819e-07% change) linmin: converged after 4 iterations. iteration 335: trace = 2.393039826243821 (4.00039e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039810361477 (6.63689e-07% change) linmin: converged after 4 iterations. iteration 337: trace = 2.393039806329722 (1.68478e-07% change) large trace change predicted (5.24067e-07%) linmin: converged after 4 iterations. iteration 338: trace = 2.393039793788592 (5.24067e-07% change) linmin: converged after 10 iterations. iteration 339: trace = 2.393039790571441 (1.34438e-07% change) large trace change predicted (2.71346e-07%) linmin: converged after 4 iterations. iteration 340: trace = 2.393039784078058 (2.71345e-07% change) linmin: converged after 3 iterations. iteration 341: trace = 2.393039780828993 (1.35771e-07% change) large trace change predicted (4.5409e-07%) linmin: converged after 2 iterations. iteration 342: trace = 2.393039769962434 (4.5409e-07% change) linmin: converged after 4 iterations. iteration 343: trace = 2.393039765482692 (1.87199e-07% change) large trace change predicted (5.45181e-07%) linmin: converged after 4 iterations. iteration 344: trace = 2.393039752436352 (5.45179e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.393039748229067 (1.75813e-07% change) linmin: converged after 2 iterations. iteration 346: trace = 2.393039742719117 (2.30249e-07% change) linmin: converged after 6 iterations. iteration 347: trace = 2.393039738919907 (1.58761e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.393039735631391 (1.3742e-07% change) linmin: converged after 2 iterations. iteration 349: trace = 2.393039732856883 (1.15941e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.39303972994213 (1.21801e-07% change) linmin: converged after 2 iterations. iteration 351: trace = 2.3930397283798 (6.52865e-08% change) large trace change predicted (2.20542e-07%) linmin: converged after 4 iterations. iteration 352: trace = 2.393039723102165 (2.20541e-07% change) linmin: converged after 4 iterations. iteration 353: trace = 2.393039721345409 (7.34111e-08% change) large trace change predicted (4.4343e-07%) linmin: converged after 4 iterations. iteration 354: trace = 2.393039710733978 (4.43429e-07% change) linmin: converged after 4 iterations. iteration 355: trace = 2.393039706543571 (1.75108e-07% change) large trace change predicted (3.59241e-07%) linmin: converged after 11 iterations. iteration 356: trace = 2.393039697946798 (3.59241e-07% change) linmin: converged after 2 iterations. iteration 357: trace = 2.393039690860626 (2.96116e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.393039687701452 (1.32015e-07% change) large trace change predicted (3.75728e-07%) linmin: converged after 17 iterations. iteration 359: trace = 2.39303967871014 (3.75728e-07% change) linmin: converged after 2 iterations. iteration 360: trace = 2.39303967301362 (2.38045e-07% change) linmin: converged after 3 iterations. iteration 361: trace = 2.393039666517745 (2.71449e-07% change) linmin: converged after 4 iterations. iteration 362: trace = 2.393039657105835 (3.93304e-07% change) linmin: converged after 9 iterations. iteration 363: trace = 2.393039653921286 (1.33076e-07% change) large trace change predicted (3.95414e-07%) linmin: converged after 2 iterations. iteration 364: trace = 2.393039644458777 (3.95418e-07% change) linmin: converged after 3 iterations. iteration 365: trace = 2.393039639577677 (2.03971e-07% change) linmin: converged after 2 iterations. iteration 366: trace = 2.39303963279407 (2.83472e-07% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039625940599 (2.86392e-07% change) linmin: converged after 4 iterations. iteration 368: trace = 2.393039623059788 (1.20383e-07% change) linmin: converged after 2 iterations. iteration 369: trace = 2.393039619009727 (1.69243e-07% change) linmin: converged after 4 iterations. iteration 370: trace = 2.393039618298714 (2.97117e-08% change) large trace change predicted (7.29548e-08%) linmin: converged after 3 iterations. iteration 371: trace = 2.393039616552878 (7.29548e-08% change) linmin: converged after 4 iterations. iteration 372: trace = 2.393039615842273 (2.96947e-08% change) linmin: converged after 4 iterations. iteration 373: trace = 2.39303961506931 (3.23005e-08% change) large trace change predicted (6.49691e-08%) linmin: converged after 2 iterations. iteration 374: trace = 2.393039613514571 (6.49692e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.393039613093982 (1.75755e-08% change) large trace change predicted (7.80566e-08%) linmin: converged after 2 iterations. iteration 376: trace = 2.393039611226061 (7.80564e-08% change) linmin: converged after 21 iterations. iteration 377: trace = 2.393039610386936 (3.50652e-08% change) large trace change predicted (7.85035e-08%) linmin: converged after 2 iterations. iteration 378: trace = 2.393039608508314 (7.85036e-08% change) linmin: converged after 18 iterations. iteration 379: trace = 2.393039607082783 (5.95699e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039604564128 (1.05249e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039602996185 (6.5521e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.393039600510151 (1.03886e-07% change) linmin: converged after 2 iterations. iteration 383: trace = 2.393039596922146 (1.49935e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.393039595808585 (4.65333e-08% change) large trace change predicted (1.63154e-07%) linmin: converged after 2 iterations. iteration 385: trace = 2.393039591904234 (1.63154e-07% change) linmin: converged after 3 iterations. iteration 386: trace = 2.393039590134084 (7.39708e-08% change) linmin: converged after 2 iterations. iteration 387: trace = 2.393039587959348 (9.08776e-08% change) linmin: converged after 2 iterations. iteration 388: trace = 2.393039585493859 (1.03028e-07% change) linmin: converged after 3 iterations. iteration 389: trace = 2.393039584188083 (5.45656e-08% change) large trace change predicted (1.77846e-07%) linmin: converged after 2 iterations. iteration 390: trace = 2.393039579932145 (1.77847e-07% change) linmin: converged after 8 iterations. iteration 391: trace = 2.393039577160494 (1.15821e-07% change) linmin: converged after 4 iterations. iteration 392: trace = 2.39303957607998 (4.51524e-08% change) large trace change predicted (1.04941e-07%) linmin: converged after 2 iterations. iteration 393: trace = 2.39303957356871 (1.04941e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.393039572112964 (6.08325e-08% change) linmin: converged after 3 iterations. iteration 395: trace = 2.393039571349624 (3.18983e-08% change) linmin: converged after 4 iterations. iteration 396: trace = 2.393039569925165 (5.95251e-08% change) linmin: converged after 2 iterations. iteration 397: trace = 2.393039569289571 (2.65601e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.393039568882322 (1.70181e-08% change) large trace change predicted (3.88508e-08%) linmin: converged after 4 iterations. iteration 399: trace = 2.393039567952608 (3.88508e-08% change) linmin: converged after 18 iterations. iteration 400: trace = 2.393039567499081 (1.89519e-08% change) linmin: converged after 2 iterations. iteration 401: trace = 2.393039567187734 (1.30105e-08% change) large trace change predicted (3.36343e-08%) linmin: converged after 15 iterations. iteration 402: trace = 2.393039566382852 (3.36343e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039565912126 (1.96706e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.393039565476792 (1.81917e-08% change) large trace change predicted (5.05684e-08%) linmin: converged after 4 iterations. iteration 405: trace = 2.393039564266671 (5.05684e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039563552148 (2.98584e-08% change) linmin: converged after 4 iterations. iteration 407: trace = 2.393039562726924 (3.44843e-08% change) large trace change predicted (9.98507e-08%) linmin: converged after 2 iterations. iteration 408: trace = 2.393039560337444 (9.98512e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.39303955899104 (5.62634e-08% change) linmin: converged after 4 iterations. iteration 410: trace = 2.393039557254748 (7.25559e-08% change) large trace change predicted (1.5569e-07%) linmin: converged after 4 iterations. iteration 411: trace = 2.393039553529028 (1.5569e-07% change) linmin: converged after 4 iterations. iteration 412: trace = 2.393039552009575 (6.34947e-08% change) linmin: converged after 3 iterations. iteration 413: trace = 2.393039549849336 (9.02718e-08% change) linmin: converged after 3 iterations. iteration 414: trace = 2.39303954602437 (1.59837e-07% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039544666565 (5.67398e-08% change) linmin: converged after 4 iterations. iteration 416: trace = 2.393039542540846 (8.88292e-08% change) linmin: converged after 4 iterations. iteration 417: trace = 2.393039540065152 (1.03454e-07% change) linmin: converged after 4 iterations. iteration 418: trace = 2.393039539218038 (3.53991e-08% change) linmin: converged after 7 iterations. iteration 419: trace = 2.393039537552316 (6.9607e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.39303953627518 (5.33688e-08% change) linmin: converged after 2 iterations. iteration 421: trace = 2.393039534996817 (5.34201e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039534528491 (1.95703e-08% change) large trace change predicted (4.09744e-08%) linmin: converged after 17 iterations. iteration 423: trace = 2.393039533547955 (4.09745e-08% change) linmin: converged after 2 iterations. iteration 424: trace = 2.393039532656988 (3.72316e-08% change) linmin: converged after 3 iterations. iteration 425: trace = 2.393039532252005 (1.69233e-08% change) large trace change predicted (5.03888e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.393039531046185 (5.03887e-08% change) linmin: converged after 2 iterations. iteration 427: trace = 2.393039530688943 (1.49284e-08% change) large trace change predicted (5.05683e-08%) linmin: converged after 2 iterations. iteration 428: trace = 2.393039529478825 (5.05683e-08% change) linmin: converged after 2 iterations. iteration 429: trace = 2.393039528861875 (2.5781e-08% change) linmin: converged after 4 iterations. iteration 430: trace = 2.393039528002445 (3.59137e-08% change) linmin: converged after 2 iterations. iteration 431: trace = 2.393039526527875 (6.16191e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.393039525901362 (2.61806e-08% change) large trace change predicted (6.97305e-08%) linmin: converged after 4 iterations. iteration 433: trace = 2.393039524232686 (6.97304e-08% change) linmin: converged after 4 iterations. iteration 434: trace = 2.393039522049938 (9.12124e-08% change) linmin: converged after 20 iterations. iteration 435: trace = 2.393039520967209 (4.52449e-08% change) large trace change predicted (2.4037e-07%) linmin: converged after 27 iterations. iteration 436: trace = 2.393039515215066 (2.4037e-07% change) linmin: converged after 12 iterations. iteration 437: trace = 2.393039513806567 (5.88581e-08% change) large trace change predicted (1.66679e-07%) linmin: converged after 2 iterations. iteration 438: trace = 2.393039509817847 (1.6668e-07% change) linmin: converged after 6 iterations. iteration 439: trace = 2.393039507548997 (9.48104e-08% change) linmin: converged after 4 iterations. iteration 440: trace = 2.39303950656528 (4.11074e-08% change) large trace change predicted (8.73803e-08%) linmin: converged after 2 iterations. iteration 441: trace = 2.393039504474236 (8.73803e-08% change) linmin: converged after 4 iterations. iteration 442: trace = 2.393039504115076 (1.50085e-08% change) large trace change predicted (5.21073e-08%) linmin: converged after 4 iterations. iteration 443: trace = 2.393039502868125 (5.21074e-08% change) linmin: converged after 2 iterations. iteration 444: trace = 2.393039502502922 (1.52611e-08% change) linmin: converged after 2 iterations. iteration 445: trace = 2.393039501960102 (2.26833e-08% change) linmin: converged after 2 iterations. iteration 446: trace = 2.393039501320827 (2.6714e-08% change) linmin: converged after 3 iterations. iteration 447: trace = 2.393039500994499 (1.36365e-08% change) large trace change predicted (2.7382e-08%) linmin: converged after 2 iterations. iteration 448: trace = 2.393039500339238 (2.73819e-08% change) linmin: converged after 2 iterations. iteration 449: trace = 2.393039499319767 (4.26015e-08% change) linmin: converged after 2 iterations. iteration 450: trace = 2.393039498810749 (2.12708e-08% change) large trace change predicted (5.08166e-08%) linmin: converged after 3 iterations. iteration 451: trace = 2.393039497594686 (5.08167e-08% change) linmin: converged after 4 iterations. iteration 452: trace = 2.393039496946154 (2.71008e-08% change) linmin: converged after 2 iterations. iteration 453: trace = 2.393039496211773 (3.06882e-08% change) large trace change predicted (7.47172e-08%) linmin: converged after 4 iterations. iteration 454: trace = 2.393039494423763 (7.47171e-08% change) linmin: converged after 3 iterations. iteration 455: trace = 2.393039493756786 (2.78716e-08% change) large trace change predicted (1.00261e-07%) linmin: converged after 2 iterations. iteration 456: trace = 2.393039491357501 (1.00261e-07% change) linmin: converged after 4 iterations. iteration 457: trace = 2.393039490567963 (3.29931e-08% change) large trace change predicted (7.99256e-08%) linmin: converged after 4 iterations. iteration 458: trace = 2.393039488655319 (7.99253e-08% change) linmin: converged after 15 iterations. iteration 459: trace = 2.393039487971152 (2.85899e-08% change) linmin: converged after 3 iterations. iteration 460: trace = 2.393039487070083 (3.76537e-08% change) linmin: converged after 9 iterations. iteration 461: trace = 2.393039486503787 (2.36643e-08% change) linmin: converged after 4 iterations. iteration 462: trace = 2.393039486260178 (1.01799e-08% change) large trace change predicted (2.39214e-08%) linmin: converged after 3 iterations. iteration 463: trace = 2.393039485687729 (2.39214e-08% change) linmin: converged after 12 iterations. iteration 464: trace = 2.393039485566339 (5.07261e-09% change) large trace change predicted (2.10061e-08%) linmin: converged after 2 iterations. iteration 465: trace = 2.393039485063656 (2.10061e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.393039484882485 (7.57075e-09% change) large trace change predicted (3.05025e-08%) linmin: converged after 2 iterations. iteration 467: trace = 2.393039484152548 (3.05025e-08% change) linmin: converged after 23 iterations. iteration 468: trace = 2.393039483531807 (2.59394e-08% change) linmin: converged after 2 iterations. iteration 469: trace = 2.393039482733383 (3.33645e-08% change) large trace change predicted (7.33085e-08%) linmin: converged after 29 iterations. iteration 470: trace = 2.393039480979084 (7.33084e-08% change) linmin: converged after 24 iterations. iteration 471: trace = 2.393039479272969 (7.12949e-08% change) linmin: converged after 8 iterations. iteration 472: trace = 2.393039476570544 (1.12929e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.393039473896867 (1.11727e-07% change) linmin: converged after 4 iterations. iteration 474: trace = 2.393039469918468 (1.66249e-07% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039468296593 (6.77747e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.393039466387898 (7.97603e-08% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039465845751 (2.26552e-08% change) large trace change predicted (6.2479e-08%) linmin: converged after 13 iterations. iteration 478: trace = 2.393039464350601 (6.24791e-08% change) linmin: converged after 3 iterations. iteration 479: trace = 2.393039463798351 (2.30774e-08% change) large trace change predicted (4.89226e-08%) linmin: converged after 14 iterations. iteration 480: trace = 2.393039462627613 (4.89226e-08% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039461929606 (2.91682e-08% change) linmin: converged after 2 iterations. iteration 482: trace = 2.393039460815831 (4.65423e-08% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039459716147 (4.59534e-08% change) linmin: converged after 14 iterations. iteration 484: trace = 2.393039459218525 (2.07946e-08% change) large trace change predicted (7.04468e-08%) linmin: converged after 2 iterations. iteration 485: trace = 2.393039457532706 (7.04468e-08% change) linmin: converged after 3 iterations. iteration 486: trace = 2.393039456697016 (3.49217e-08% change) linmin: converged after 2 iterations. iteration 487: trace = 2.393039455534336 (4.85859e-08% change) linmin: converged after 4 iterations. iteration 488: trace = 2.3930394545242 (4.22114e-08% change) linmin: converged after 4 iterations. iteration 489: trace = 2.393039453838819 (2.86406e-08% change) resetting CG direction... linmin: converged after 17 iterations. iteration 490: trace = 2.393039453382145 (1.90835e-08% change) linmin: converged after 4 iterations. iteration 491: trace = 2.393039452883926 (2.08195e-08% change) linmin: converged after 2 iterations. iteration 492: trace = 2.393039451917369 (4.03904e-08% change) linmin: converged after 3 iterations. iteration 493: trace = 2.39303945112816 (3.29794e-08% change) linmin: converged after 2 iterations. iteration 494: trace = 2.393039450063741 (4.44798e-08% change) linmin: converged after 11 iterations. iteration 495: trace = 2.393039449138616 (3.8659e-08% change) linmin: converged after 7 iterations. iteration 496: trace = 2.393039448773352 (1.52636e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.393039448102833 (2.80196e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.393039447625392 (1.99512e-08% change) linmin: converged after 4 iterations. iteration 499: trace = 2.393039447278601 (1.44917e-08% change) large trace change predicted (2.93701e-08%) linmin: converged after 2 iterations. iteration 500: trace = 2.393039446575763 (2.93701e-08% change) linmin: converged after 3 iterations. iteration 501: trace = 2.393039446232266 (1.4354e-08% change) linmin: converged after 24 iterations. iteration 502: trace = 2.393039445642496 (2.46452e-08% change) linmin: converged after 2 iterations. iteration 503: trace = 2.393039444668473 (4.07023e-08% change) linmin: converged after 4 iterations. iteration 504: trace = 2.393039444266894 (1.67811e-08% change) large trace change predicted (5.06044e-08%) linmin: converged after 4 iterations. iteration 505: trace = 2.393039443055907 (5.06046e-08% change) linmin: converged after 2 iterations. iteration 506: trace = 2.39303944237184 (2.85857e-08% change) linmin: converged after 3 iterations. iteration 507: trace = 2.393039442060013 (1.30306e-08% change) linmin: converged after 3 iterations. iteration 508: trace = 2.393039441588009 (1.9724e-08% change) linmin: converged after 3 iterations. iteration 509: trace = 2.39303944149799 (3.76171e-09% change) large trace change predicted (1.11446e-08%) linmin: converged after 2 iterations. iteration 510: trace = 2.393039441231295 (1.11446e-08% change) linmin: converged after 2 iterations. iteration 511: trace = 2.393039441135953 (3.98414e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.393039441053947 (3.42684e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.393039440964873 (3.72223e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039440905009 (2.50157e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.393039440813489 (3.82441e-09% change) linmin: converged after 4 iterations. iteration 516: trace = 2.393039440695194 (4.9433e-09% change) linmin: converged after 4 iterations. iteration 517: trace = 2.393039440628913 (2.76973e-09% change) large trace change predicted (6.1398e-09%) linmin: converged after 4 iterations. iteration 518: trace = 2.393039440481986 (6.13976e-09% change) linmin: converged after 3 iterations. iteration 519: trace = 2.393039440343096 (5.80394e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039440199801 (5.98798e-09% change) linmin: converged after 2 iterations. iteration 521: trace = 2.393039439962492 (9.91665e-09% change) linmin: converged after 29 iterations. iteration 522: trace = 2.393039439886517 (3.17482e-09% change) large trace change predicted (1.10085e-08%) linmin: converged after 2 iterations. iteration 523: trace = 2.393039439623079 (1.10085e-08% change) linmin: converged after 4 iterations. iteration 524: trace = 2.39303943947403 (6.22845e-09% change) linmin: converged after 19 iterations. iteration 525: trace = 2.393039439231307 (1.01429e-08% change) linmin: converged after 2 iterations. iteration 526: trace = 2.393039439033188 (8.27896e-09% change) linmin: converged after 4 iterations. iteration 527: trace = 2.393039438947815 (3.56754e-09% change) linmin: converged after 2 iterations. iteration 528: trace = 2.393039438807594 (5.85956e-09% change) linmin: converged after 3 iterations. iteration 529: trace = 2.393039438756702 (2.12668e-09% change) linmin: converged after 2 iterations. iteration 530: trace = 2.393039438665795 (3.79878e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039438617313 (2.02596e-09% change) linmin: converged after 3 iterations. iteration 532: trace = 2.393039438590016 (1.14068e-09% change) linmin: converged after 2 iterations. iteration 533: trace = 2.393039438538896 (2.1362e-09% change) linmin: converged after 2 iterations. iteration 534: trace = 2.393039438499377 (1.65142e-09% change) large trace change predicted (3.38175e-09%) linmin: converged after 4 iterations. iteration 535: trace = 2.393039438418451 (3.38172e-09% change) linmin: converged after 2 iterations. iteration 536: trace = 2.393039438308477 (4.59561e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.393039438190664 (4.92315e-09% change) large trace change predicted (1.00509e-08%) linmin: converged after 2 iterations. iteration 538: trace = 2.393039437950141 (1.00509e-08% change) linmin: converged after 4 iterations. iteration 539: trace = 2.393039437775639 (7.29204e-09% change) linmin: converged after 2 iterations. iteration 540: trace = 2.393039437514739 (1.09025e-08% change) linmin: converged after 9 iterations. iteration 541: trace = 2.393039437394403 (5.02857e-09% change) large trace change predicted (1.13747e-08%) linmin: converged after 3 iterations. iteration 542: trace = 2.393039437122201 (1.13747e-08% change) linmin: converged after 2 iterations. iteration 543: trace = 2.393039437048102 (3.09647e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039436922274 (5.25807e-09% change) linmin: converged after 4 iterations. iteration 545: trace = 2.393039436855458 (2.79211e-09% change) linmin: converged after 2 iterations. iteration 546: trace = 2.39303943680307 (2.18918e-09% change) linmin: converged after 2 iterations. iteration 547: trace = 2.393039436717892 (3.55937e-09% change) linmin: converged after 4 iterations. iteration 548: trace = 2.393039436685572 (1.35062e-09% change) linmin: converged after 2 iterations. iteration 549: trace = 2.39303943663064 (2.29547e-09% change) linmin: converged after 11 iterations. iteration 550: trace = 2.393039436601972 (1.19798e-09% change) large trace change predicted (2.6759e-09%) linmin: converged after 2 iterations. iteration 551: trace = 2.393039436537939 (2.67579e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.393039436504438 (1.39994e-09% change) linmin: converged after 4 iterations. iteration 553: trace = 2.393039436465061 (1.64546e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039436422128 (1.79411e-09% change) linmin: converged after 10 iterations. iteration 555: trace = 2.39303943640195 (8.4318e-10% change) linmin: converged after 4 iterations. iteration 556: trace = 2.393039436368074 (1.41561e-09% change) linmin: converged after 3 iterations. iteration 557: trace = 2.393039436320225 (1.9995e-09% change) linmin: converged after 4 iterations. iteration 558: trace = 2.393039436276913 (1.80994e-09% change) large trace change predicted (1.28025e-08%) linmin: converged after 17 iterations. iteration 559: trace = 2.393039435970544 (1.28025e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039435842361 (5.35652e-09% change) linmin: converged after 2 iterations. iteration 561: trace = 2.39303943572014 (5.10735e-09% change) linmin: converged after 2 iterations. iteration 562: trace = 2.393039435642355 (3.25046e-09% change) linmin: converged after 6 iterations. iteration 563: trace = 2.393039435628204 (5.91355e-10% change) large trace change predicted (1.68567e-09%) linmin: converged after 4 iterations. iteration 564: trace = 2.393039435587868 (1.68554e-09% change) linmin: converged after 3 iterations. iteration 565: trace = 2.393039435562024 (1.07996e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.393039435532799 (1.22125e-09% change) linmin: converged after 4 iterations. iteration 567: trace = 2.3930394354891 (1.82608e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.393039435466734 (9.3465e-10% change) linmin: converged after 3 iterations. iteration 569: trace = 2.393039435441332 (1.06149e-09% change) linmin: converged after 4 iterations. iteration 570: trace = 2.393039435394774 (1.94554e-09% change) linmin: converged after 3 iterations. iteration 571: trace = 2.393039435381587 (5.51085e-10% change) large trace change predicted (2.65812e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.393039435317977 (2.65813e-09% change) linmin: converged after 4 iterations. iteration 573: trace = 2.393039435298686 (8.06121e-10% change) large trace change predicted (2.35328e-09%) linmin: converged after 4 iterations. iteration 574: trace = 2.393039435242371 (2.35328e-09% change) linmin: converged after 3 iterations. iteration 575: trace = 2.393039435176981 (2.7325e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.393039435140044 (1.54352e-09% change) large trace change predicted (7.72079e-09%) linmin: converged after 6 iterations. iteration 577: trace = 2.39303943495528 (7.7209e-09% change) linmin: converged after 4 iterations. iteration 578: trace = 2.393039434844008 (4.6498e-09% change) linmin: converged after 4 iterations. iteration 579: trace = 2.393039434732904 (4.6428e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.393039434588558 (6.03191e-09% change) linmin: converged after 4 iterations. iteration 581: trace = 2.393039434530619 (2.42118e-09% change) linmin: converged after 3 iterations. iteration 582: trace = 2.393039434451024 (3.32607e-09% change) linmin: converged after 3 iterations. iteration 583: trace = 2.393039434401046 (2.08848e-09% change) linmin: converged after 3 iterations. iteration 584: trace = 2.393039434380145 (8.73429e-10% change) linmin: converged after 2 iterations. iteration 585: trace = 2.393039434348142 (1.33731e-09% change) linmin: converged after 5 iterations. iteration 586: trace = 2.393039434338687 (3.95127e-10% change) large trace change predicted (8.85714e-10%) linmin: converged after 2 iterations. iteration 587: trace = 2.393039434317491 (8.85733e-10% change) linmin: converged after 10 iterations. iteration 588: trace = 2.393039434301739 (6.58217e-10% change) linmin: converged after 2 iterations. iteration 589: trace = 2.393039434287742 (5.84934e-10% change) large trace change predicted (1.94291e-09%) linmin: converged after 3 iterations. iteration 590: trace = 2.393039434241246 (1.94296e-09% change) linmin: converged after 2 iterations. iteration 591: trace = 2.393039434224021 (7.1981e-10% change) large trace change predicted (3.02912e-09%) linmin: converged after 2 iterations. iteration 592: trace = 2.393039434151533 (3.02909e-09% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039434101835 (2.07677e-09% change) linmin: converged after 3 iterations. iteration 594: trace = 2.393039434030698 (2.97266e-09% change) linmin: converged after 2 iterations. iteration 595: trace = 2.393039433965318 (2.73212e-09% change) linmin: converged after 4 iterations. iteration 596: trace = 2.393039433940761 (1.02616e-09% change) large trace change predicted (3.1381e-09%) linmin: converged after 4 iterations. iteration 597: trace = 2.393039433865665 (3.13812e-09% change) linmin: converged after 4 iterations. iteration 598: trace = 2.393039433839852 (1.07868e-09% change) large trace change predicted (2.75634e-09%) linmin: converged after 17 iterations. iteration 599: trace = 2.393039433773894 (2.75624e-09% change) linmin: converged after 3 iterations. iteration 600: trace = 2.393039433729536 (1.85364e-09% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039433707563 (9.1819e-10% change) linmin: converged after 4 iterations. iteration 602: trace = 2.393039433665549 (1.75567e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.393039433641563 (1.00233e-09% change) linmin: converged after 4 iterations. iteration 604: trace = 2.393039433620998 (8.59381e-10% change) linmin: converged after 2 iterations. iteration 605: trace = 2.393039433602489 (7.73441e-10% change) linmin: converged after 3 iterations. iteration 606: trace = 2.393039433594486 (3.34425e-10% change) large trace change predicted (8.79846e-10%) linmin: converged after 6 iterations. iteration 607: trace = 2.393039433573432 (8.79813e-10% change) linmin: converged after 6 iterations. iteration 608: trace = 2.393039433553772 (8.21542e-10% change) linmin: converged after 3 iterations. iteration 609: trace = 2.393039433532632 (8.83394e-10% change) large trace change predicted (2.11401e-09%) linmin: converged after 4 iterations. iteration 610: trace = 2.393039433482044 (2.11394e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039433454133 (1.16636e-09% change) large trace change predicted (3.79593e-09%) linmin: converged after 4 iterations. iteration 612: trace = 2.393039433363292 (3.79606e-09% change) linmin: converged after 8 iterations. iteration 613: trace = 2.393039433311294 (2.17288e-09% change) large trace change predicted (6.19386e-09%) linmin: converged after 8 iterations. iteration 614: trace = 2.393039433163072 (6.19386e-09% change) linmin: converged after 4 iterations. iteration 615: trace = 2.393039433061777 (4.23294e-09% change) linmin: converged after 2 iterations. iteration 616: trace = 2.39303943296718 (3.95298e-09% change) linmin: converged after 2 iterations. iteration 617: trace = 2.393039432879454 (3.66591e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.393039432849202 (1.26414e-09% change) large trace change predicted (2.8211e-09%) linmin: converged after 2 iterations. iteration 619: trace = 2.393039432781692 (2.82112e-09% change) linmin: converged after 3 iterations. iteration 620: trace = 2.393039432766554 (6.32571e-10% change) large trace change predicted (1.87872e-09%) linmin: converged after 5 iterations. iteration 621: trace = 2.393039432721596 (1.87871e-09% change) linmin: converged after 4 iterations. iteration 622: trace = 2.393039432697632 (1.0014e-09% change) linmin: converged after 2 iterations. iteration 623: trace = 2.39303943267042 (1.13713e-09% change) linmin: converged after 6 iterations. iteration 624: trace = 2.393039432616455 (2.25506e-09% change) linmin: converged after 2 iterations. iteration 625: trace = 2.393039432581678 (1.45328e-09% change) linmin: converged after 4 iterations. iteration 626: trace = 2.393039432526082 (2.32324e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.393039432497568 (1.19152e-09% change) linmin: converged after 2 iterations. iteration 628: trace = 2.3930394324485 (2.05048e-09% change) linmin: converged after 4 iterations. iteration 629: trace = 2.393039432422539 (1.08482e-09% change) resetting CG direction... linmin: converged after 23 iterations. iteration 630: trace = 2.393039432407119 (6.44392e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.393039432389128 (7.51822e-10% change) linmin: converged after 17 iterations. iteration 632: trace = 2.393039432362005 (1.1334e-09% change) linmin: converged after 15 iterations. iteration 633: trace = 2.393039432329205 (1.37062e-09% change) linmin: converged after 16 iterations. iteration 634: trace = 2.393039432276155 (2.21685e-09% change) linmin: converged after 4 iterations. iteration 635: trace = 2.393039432255298 (8.71573e-10% change) linmin: converged after 2 iterations. iteration 636: trace = 2.393039432220016 (1.47436e-09% change) linmin: converged after 4 iterations. iteration 637: trace = 2.393039432207311 (5.30931e-10% change) large trace change predicted (1.0789e-09%) linmin: converged after 2 iterations. iteration 638: trace = 2.393039432181491 (1.07895e-09% change) linmin: converged after 3 iterations. iteration 639: trace = 2.393039432167149 (5.99316e-10% change) linmin: converged after 9 iterations. iteration 640: trace = 2.393039432153186 (5.83505e-10% change) large trace change predicted (1.33023e-09%) linmin: converged after 3 iterations. iteration 641: trace = 2.393039432121354 (1.33019e-09% change) linmin: converged after 2 iterations. iteration 642: trace = 2.393039432110959 (4.34358e-10% change) large trace change predicted (2.59123e-09%) linmin: converged after 4 iterations. iteration 643: trace = 2.393039432048948 (2.59134e-09% change) linmin: converged after 2 iterations. iteration 644: trace = 2.393039432026457 (9.39847e-10% change) linmin: converged after 12 iterations. iteration 645: trace = 2.393039431985169 (1.72531e-09% change) linmin: converged after 4 iterations. iteration 646: trace = 2.393039431964056 (8.823e-10% change) linmin: converged after 4 iterations. iteration 647: trace = 2.393039431953779 (4.29421e-10% change) large trace change predicted (1.16983e-09%) linmin: converged after 2 iterations. iteration 648: trace = 2.393039431925785 (1.16983e-09% change) linmin: converged after 2 iterations. iteration 649: trace = 2.393039431921374 (1.84332e-10% change) large trace change predicted (6.29569e-10%) linmin: converged after 3 iterations. iteration 650: trace = 2.39303943190631 (6.2949e-10% change) linmin: converged after 2 iterations. iteration 651: trace = 2.393039431902897 (1.42596e-10% change) linmin: converged after 2 iterations. iteration 652: trace = 2.393039431898152 (1.98306e-10% change) linmin: converged after 3 iterations. iteration 653: trace = 2.393039431893913 (1.7715e-10% change) linmin: converged after 2 iterations. iteration 654: trace = 2.393039431891898 (8.4177e-11% change) Finished solving for bands 2 to 10 after 654 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: 6.203810453414917 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263004528 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856536614 at Vector3<0.0, 0.0, 0.0> to 0.35463024054636866 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355908947 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517582053 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.3689901366659233 at Vector3<0.0, 0.0, 0.0> to 0.4807484678400221 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.4779014823933212 at Vector3<0.5, 0.0, 0.0> to 0.5073352894264882 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587490557 at Vector3<0.0, 0.0, 0.0> to 0.512534369237881 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743973262 at Vector3<0.5, 0.0, 0.0> to 0.6079200818073007 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764852911 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.635680784601736 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609333313 at Vector3<0.5, 0.0, 0.0> to 0.6489078359270736 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.646889890275015 at Vector3<0.5, 0.0, 0.0> to 0.6600163337834798 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263004528) to band 2 (0.26588497856536614), 20.865194947924504% Gap from band 2 (0.35463024054636866) to band 3 (0.3562142355908947), 0.445665711052156% Gap from band 3 (0.36527833517582053) to band 4 (0.3689901366659233), 1.0110202555184071% Gap from band 7 (0.6079200818073007) to band 8 (0.6150518764852911), 1.16630551168928% Gap from band 8 (0.635680784601736) to band 9 (0.6397097609333313), 0.6318027596644891% total elapsed time for run: 110.24687004089355 done /tmp/meepWcFBDI/test_hermitian_eps-0: 110.25s /tmp/meepWcFBDI/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: 0.17631769180297852 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 = 20.14068801126495 (196.16% change) linmin: converged after 14 iterations. iteration 2: trace = 3.29913734181208 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363156 (21.1015% change) linmin: converged after 5 iterations. iteration 4: trace = 2.402412493859579 (10.5287% change) linmin: converged after 6 iterations. iteration 5: trace = 2.282088343951397 (5.13712% change) linmin: converged after 6 iterations. iteration 6: trace = 2.228076475135607 (2.39512% change) linmin: converged after 5 iterations. iteration 7: trace = 2.207088432445464 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295814889 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156580040251 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.190612639379604 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950477864 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973205631 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751657791 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093604244 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848085 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563433 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722309 (0.000399861% change) linmin: converged after 6 iterations. iteration 18: trace = 2.187961616111443 (0.000201768% change) linmin: converged after 4 iterations. iteration 19: trace = 2.187959777341905 (8.40403e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 2.187958886064216 (4.07356e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 2.187958549134311 (1.53993e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 2.187958302488664 (1.12729e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 2.187958133391001 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545612 (2.68951e-06% change) linmin: converged after 14 iterations. iteration 25: trace = 2.18795806978698 (2.17492e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.187958069734487 (2.39918e-09% change) linmin: converged after 16 iterations. iteration 27: trace = 2.187958069720195 (6.53197e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.187958069713344 (3.13121e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.187958069709276 (1.85941e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.187958069706398 (1.31524e-10% change) linmin: converged after 13 iterations. iteration 31: trace = 2.187958069704349 (9.36705e-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: 15.07497239112854 total elapsed time for run: 15.25137710571289 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepWcFBDI/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 = 0.4919799066358997 s /tmp/meepWcFBDI/test_hole_slab-0: 15.28s /tmp/meepWcFBDI/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: 0.002752065658569336 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828973 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550762 (96.0359% change) linmin: converged after 5 iterations. iteration 3: trace = 4.482417469982443 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909681 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789139 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653453 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558342 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277229 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069836 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696016 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166417 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779073 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579819 (0.000128143% change) linmin: converged after 6 iterations. iteration 14: trace = 4.384896578810445 (2.28286e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.384896296355066 (6.44155e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.384896163448708 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996908 (1.2418e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181347 (1.22729e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 4.384895970966119 (1.92058e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.384895907260804 (1.45284e-06% change) large trace change predicted (4.57068e-06%) linmin: converged after 7 iterations. iteration 21: trace = 4.384895706840851 (4.57069e-06% change) large trace change predicted (5.41045e-05%) linmin: converged after 16 iterations. iteration 22: trace = 4.38489333815099 (5.40193e-05% change) large trace change predicted (0.000283058%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228146373 (0.000276176% change) linmin: converged after 5 iterations. iteration 24: trace = 4.38487439831679 (0.000155759% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500651521 (4.32775e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395564995 (2.52023e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.384870693958896 (1.60006e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461982341 (5.29039e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388767947 (1.6697e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 4.384870368921931 (4.52602e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 4.384870362402376 (1.48683e-07% change) linmin: converged after 7 iterations. iteration 32: trace = 4.384870359727403 (6.10046e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219282 (1.1588e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 4.384870359145586 (1.68068e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.3848703591298 (3.60022e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 4.384870359120756 (2.06262e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.384870359115455 (1.20885e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 4.38487035911433 (2.56637e-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: 0.1496884822845459 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 4.398721967196344 (0.785795% change) linmin: converged after 4 iterations. iteration 2: trace = 4.39311736725744 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343377798811 (0.0859438% change) linmin: converged after 3 iterations. iteration 4: trace = 4.38678830840188 (0.0582277% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878647185177 (0.0663498% change) large trace change predicted (0.244096%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047535614228 (0.224508% change) linmin: converged after 6 iterations. iteration 7: trace = 4.368118521141495 (0.135642% change) linmin: converged after 6 iterations. iteration 8: trace = 4.366002637220512 (0.048451% change) linmin: converged after 4 iterations. iteration 9: trace = 4.364742804112333 (0.0288597% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161253135404 (0.0133247% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460883819 (0.00398234% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770893466 (0.000817833% change) linmin: converged after 4 iterations. iteration 13: trace = 4.363938583827611 (0.000302182% change) linmin: converged after 4 iterations. iteration 14: trace = 4.363930081969198 (0.000194821% change) linmin: converged after 6 iterations. iteration 15: trace = 4.363920378566788 (0.000222355% change) linmin: converged after 4 iterations. iteration 16: trace = 4.363910621714462 (0.00022358% change) linmin: converged after 5 iterations. iteration 17: trace = 4.363903924480721 (0.000153469% change) linmin: converged after 4 iterations. iteration 18: trace = 4.363900915397742 (6.89539e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.363900331101282 (1.33893e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186221754 (3.31996e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964738 (2.22867e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 4.363900060699736 (6.477e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.363900055304614 (1.23631e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 4.363900051913031 (7.77191e-08% change) linmin: converged after 10 iterations. iteration 25: trace = 4.363900047515105 (1.0078e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 4.363900042904745 (1.05648e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 4.363900040389214 (5.76441e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.3639000392704 (2.56379e-08% change) linmin: converged after 10 iterations. iteration 29: trace = 4.363900038955545 (7.21501e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 4.363900038873578 (1.87828e-09% change) linmin: converged after 16 iterations. iteration 31: trace = 4.363900038847107 (6.06597e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 4.363900038835862 (2.57688e-10% change) linmin: converged after 12 iterations. iteration 33: trace = 4.363900038830818 (1.15584e-10% change) linmin: converged after 10 iterations. iteration 34: trace = 4.363900038828967 (4.24154e-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: 0.18567490577697754 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609966 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322942 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.326393701640924 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292306 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266935 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490808995 (0.00022026% change) linmin: converged after 5 iterations. iteration 7: trace = 4.325995296299605 (9.69605e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.325994594651874 (1.62193e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.325994488077122 (2.46359e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.325994468151054 (4.60612e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562198 (1.29192e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.325994459723794 (6.56128e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.325994458374732 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.44641e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.32599445760478 (3.3342e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.325994457594263 (2.4311e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.325994457593166 (2.5356e-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: 0.09116244316101074 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070925859 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847932597 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538321825 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198788 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.298101423772043 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916542 (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 = 4.298081030130992 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199846 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492034 (2.25864e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.298080977563767 (6.81296e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.298080976767698 (1.85215e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.298080976493848 (6.37143e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.298080976439335 (1.26831e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.298080976434353 (1.15907e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.298080976434066 (6.69531e-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: 0.08597993850708008 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997796 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997733 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617626 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707249 (0.0118045% change) linmin: converged after 7 iterations. iteration 5: trace = 4.286096391657204 (0.00123993% change) linmin: converged after 5 iterations. iteration 6: trace = 4.286089079043697 (0.000170613% change) linmin: converged after 3 iterations. iteration 7: trace = 4.286087354619919 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657694 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2860871247189 (4.65198e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.286087122345823 (5.5367e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.28608712164809 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456535 (4.46923e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.286087121427352 (6.80875e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.286087121422137 (1.21682e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 4.286087121421346 (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: 0.08241009712219238 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792945 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.287785198787414 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445602 (0.00124314% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283887176226486 (8.70288e-05% change) linmin: converged after 13 iterations. iteration 7: trace = 4.283886858681747 (7.41254e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.283886826915915 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283886821473168 (1.27052e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283886820456626 (2.37294e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.283886820322505 (3.13083e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.283886820305659 (3.93243e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.283886820302828 (6.60761e-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: 0.07213115692138672 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396261 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.288024760190674 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.28790672939299 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.287891982563941 (0.000343917% change) linmin: converged after 4 iterations. iteration 5: trace = 4.287890045876973 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037959 (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 = 4.287889500347116 (5.6044e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025855 (7.49227e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903878 (2.84469e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.287889499875897 (6.52563e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.287889499871685 (9.82241e-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: 0.06656050682067871 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.301356803492725 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537602 (0.0305355% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299922855277392 (0.00280718% change) linmin: converged after 4 iterations. iteration 4: trace = 4.299907791777745 (0.000350321% change) linmin: converged after 4 iterations. iteration 5: trace = 4.299905439718409 (5.47002e-05% change) linmin: converged after 23 iterations. iteration 6: trace = 4.299904830345854 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860711 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.299904772590565 (9.93079e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447073 (2.65934e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054308 (9.13427e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962043 (2.14574e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.299904770944453 (4.09088e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939913 (1.05572e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.299904770939231 (1.58636e-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: 0.07659721374511719 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090361 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755676 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607526 (0.00300364% change) linmin: converged after 4 iterations. iteration 4: trace = 4.319883445006702 (0.000392732% change) linmin: converged after 10 iterations. iteration 5: trace = 4.319880164551651 (7.59385e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.319879323285327 (1.94743e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.31987925056054 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729272 (3.43326e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.3198792279581 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421855 (5.8711e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813205 (1.40895e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.319879224663678 (3.46136e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.319879224626955 (8.50105e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622893 (9.40221e-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: 0.07560586929321289 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535371405 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951090032 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085816 (0.00355484% change) linmin: converged after 5 iterations. iteration 4: trace = 4.347489679972013 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105898 (0.000121101% change) linmin: converged after 5 iterations. iteration 6: trace = 4.347482964576349 (3.33648e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.347482711409501 (5.8233e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.34748249319253 (5.01939e-06% change) linmin: converged after 15 iterations. iteration 9: trace = 4.347482344420543 (3.42203e-06% change) linmin: converged after 9 iterations. iteration 10: trace = 4.347482298963946 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718705 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039396 (6.1629e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.347482286361005 (1.56042e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300157 (1.39962e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.347482286295718 (1.02108e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.347482286295501 (4.98485e-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: 0.08584260940551758 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611541846 (0.261984% change) linmin: converged after 4 iterations. iteration 2: trace = 4.382001036501 (0.0389831% change) linmin: converged after 4 iterations. iteration 3: trace = 4.381788780265518 (0.00484394% change) linmin: converged after 5 iterations. iteration 4: trace = 4.381750715862318 (0.000868699% change) linmin: converged after 6 iterations. iteration 5: trace = 4.381738092901278 (0.000288081% change) linmin: converged after 5 iterations. iteration 6: trace = 4.381730455730979 (0.000174296% change) linmin: converged after 11 iterations. iteration 7: trace = 4.381717816260424 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919180937 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 4 iterations. iteration 9: trace = 4.381441330734539 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.38128213127925 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.38124129682525 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387281 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335718 (0.000130262% change) linmin: converged after 4 iterations. iteration 14: trace = 4.381215701244821 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929223 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899548 (4.63268e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 4.38121566842275 (1.08828e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 4.381215668185727 (5.40998e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 4.381215667875741 (7.07536e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457719 (9.54123e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 2 iterations. iteration 21: trace = 4.381215666187734 (2.8987e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.381215660818164 (1.22559e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.381215657974623 (6.4903e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.381215657571822 (9.19383e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498215 (1.68006e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.38121565748099 (3.93163e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.14951324462890625 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078846 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837960243 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521812 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673141 (0.0111185% change) linmin: converged after 4 iterations. iteration 5: trace = 4.322744261437426 (0.00132936% change) linmin: converged after 4 iterations. iteration 6: trace = 4.322738562405235 (0.000131838% change) linmin: converged after 6 iterations. iteration 7: trace = 4.322737639096748 (2.13593e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.322737373315293 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966317 (1.14161e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.322737320305615 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841388 (1.07392e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.322737319507415 (7.72596e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388517 (2.75054e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.322737319377675 (2.50813e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.322737319376869 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.08029389381408691 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.307332591907947 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684619881 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283832 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.30088875657286 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.300856819860755 (0.000742564% change) linmin: converged after 5 iterations. iteration 6: trace = 4.300852819316752 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232638 (2.46715e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.300851520938104 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505016 (3.74844e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.300851491410832 (2.1899e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07428e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.300851491405954 (5.98885e-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: 0.07018876075744629 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374011851 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.318854387768202 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132377116 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.31714834940647 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908587 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586098956 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114092 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31711295737254 (8.54139e-06% change) linmin: converged after 16 iterations. iteration 9: trace = 4.317112903543083 (1.24689e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.317112897314948 (1.44266e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.317112896825686 (1.13331e-08% change) linmin: converged after 6 iterations. iteration 12: trace = 4.31711289679096 (8.04401e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.317112896788797 (5.00963e-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: 0.07019615173339844 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521888407 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.36217967234487 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496605 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793684 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549698 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455406 (0.000169747% change) linmin: converged after 6 iterations. iteration 7: trace = 4.358297720839158 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070668 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325378 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360149 (5.49876e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.358297517194557 (1.18523e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.358297516480517 (1.63834e-08% change) linmin: converged after 6 iterations. iteration 13: trace = 4.358297516296372 (4.22516e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 4.358297516225995 (1.61479e-09% change) linmin: converged after 15 iterations. iteration 15: trace = 4.358297516215982 (2.29733e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.35829751621239 (8.24331e-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: 0.08565759658813477 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819852934 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318504 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538977 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.38537543508572 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461172 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211113 (0.000970899% change) linmin: converged after 4 iterations. iteration 7: trace = 4.385101645836658 (0.000315075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.385091804775305 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979721 (0.000106994% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385086288853219 (1.87938e-05% change) linmin: converged after 10 iterations. iteration 11: trace = 4.385086150105532 (3.16408e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.385086139697314 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058152 (1.45758e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.385086138940975 (2.67216e-09% change) large trace change predicted (7.99111e-09%) linmin: converged after 3 iterations. iteration 15: trace = 4.385086138590558 (7.99112e-09% change) large trace change predicted (6.98876e-08%) linmin: converged after 13 iterations. iteration 16: trace = 4.385086135525916 (6.98878e-08% change) large trace change predicted (2.99541e-07%) linmin: converged after 10 iterations. iteration 17: trace = 4.385086122390662 (2.99544e-07% change) large trace change predicted (1.05348e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.385086076197152 (1.05342e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075362645869 (0.000244318% change) linmin: converged after 16 iterations. iteration 20: trace = 4.385074750826859 (1.39523e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.385074131167632 (1.41311e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.385073497548115 (1.44495e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.3850728386729 (1.50254e-05% change) linmin: converged after 8 iterations. iteration 24: trace = 4.385072141108279 (1.59077e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071389613516 (1.71376e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.385070566690029 (1.87665e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.385069652100324 (2.08569e-05% change) linmin: converged after 7 iterations. iteration 28: trace = 4.385068623008142 (2.34681e-05% change) linmin: converged after 12 iterations. iteration 29: trace = 4.385067455934778 (2.66147e-05% change) linmin: converged after 9 iterations. iteration 30: trace = 4.385066132735155 (3.01751e-05% change) linmin: converged after 9 iterations. iteration 31: trace = 4.385064653080327 (3.37431e-05% change) linmin: converged after 7 iterations. iteration 32: trace = 4.385063051185965 (3.65307e-05% change) linmin: converged after 8 iterations. iteration 33: trace = 4.385061401318644 (3.76247e-05% change) linmin: converged after 10 iterations. iteration 34: trace = 4.385059793400255 (3.66681e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 4.38505829335896 (3.4208e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 4.385056926386902 (3.11734e-05% change) linmin: converged after 9 iterations. iteration 37: trace = 4.385055687841283 (2.82447e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.385054560174422 (2.57161e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053523658009 (2.36375e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.385052560900179 (2.19554e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.385051658042476 (2.05894e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 4.385050804617549 (1.94621e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049992994621 (1.85089e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 4.385049217771926 (1.76788e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048475232869 (1.69334e-05% change) linmin: converged after 7 iterations. iteration 46: trace = 4.385047762892187 (1.62448e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 4.385047079129229 (1.55931e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 4.385046422898172 (1.49652e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045793504803 (1.43532e-05% change) linmin: converged after 7 iterations. iteration 50: trace = 4.385045190473052 (1.3752e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.385044613319097 (1.31619e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 4.38504406157156 (1.25825e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043534740839 (1.20143e-05% change) linmin: converged after 9 iterations. iteration 54: trace = 4.385043032228883 (1.14597e-05% change) linmin: converged after 5 iterations. iteration 55: trace = 4.385042553357371 (1.09206e-05% change) linmin: converged after 8 iterations. iteration 56: trace = 4.385042097335003 (1.03995e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.385041663332172 (9.89735e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041250438021 (9.41597e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 4.385040857717819 (8.95591e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 4.385040484204882 (8.51789e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040128926902 (8.10205e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.38503979091436 (7.70831e-06% change) linmin: converged after 7 iterations. iteration 63: trace = 4.385039469217078 (7.33625e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 4.385039162902752 (6.98544e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038871072906 (6.65513e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038592860618 (6.34458e-06% change) linmin: converged after 5 iterations. iteration 67: trace = 4.385038327437403 (6.05293e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.38503807401367 (5.77928e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037831840994 (5.5227e-06% change) resetting CG direction... large trace change predicted (0.00313322%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900328866862 (0.00313578% change) linmin: converged after 3 iterations. iteration 71: trace = 4.384884254049671 (0.000366595% change) linmin: converged after 3 iterations. iteration 72: trace = 4.384873438618832 (0.000246653% change) linmin: converged after 3 iterations. iteration 73: trace = 4.384870688180718 (6.27256e-05% change) linmin: converged after 4 iterations. iteration 74: trace = 4.384870449349854 (5.4467e-06% change) linmin: converged after 16 iterations. iteration 75: trace = 4.384870415896464 (7.62928e-07% change) linmin: converged after 3 iterations. iteration 76: trace = 4.384870401162483 (3.36019e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393509607 (1.74529e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389512058 (9.11668e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 4.384870388339071 (2.67508e-08% change) linmin: converged after 9 iterations. iteration 80: trace = 4.384870388233566 (2.40611e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388206589 (6.15221e-10% change) large trace change predicted (3.52776e-09%) linmin: converged after 18 iterations. iteration 82: trace = 4.3848703880519 (3.52778e-09% change) large trace change predicted (3.75183e-08%) linmin: converged after 4 iterations. iteration 83: trace = 4.384870386406773 (3.75183e-08% change) large trace change predicted (1.5137e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379769463 (1.51368e-07% change) linmin: converged after 7 iterations. iteration 85: trace = 4.384870373680807 (1.38856e-07% change) linmin: converged after 4 iterations. iteration 86: trace = 4.384870369531612 (9.46253e-08% change) linmin: converged after 7 iterations. iteration 87: trace = 4.384870363657435 (1.33965e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360442844 (7.3311e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359584523 (1.95746e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 4.384870359189069 (9.01861e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 4.384870359114175 (1.70801e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 4.384870359106896 (1.65994e-10% change) linmin: converged after 4 iterations. iteration 93: trace = 4.384870359106209 (1.56778e-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: 0.3662266731262207 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.33511676603549895 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916977 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.4298481123781638 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261694 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774267 at Vector3<0.0, 0.5, 0.0> to 0.747622077830657 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087805 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.7852786984418483 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712539 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856618 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014175 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.054035050813511 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233712 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.33511676603549895) to band 2 (0.3351850759916977), 0.02038184946417135% Gap from band 2 (0.4298481123781638) to band 3 (0.5751709345431465), 28.919416524523044% Gap from band 5 (0.7793792212092521) to band 6 (0.7852786984418483), 0.7540916335133137% Gap from band 7 (0.9122560439014175) to band 8 (1.054035050813511), 14.420958045649755% total elapsed time for run: 1.7974586486816406 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: 0.002801656723022461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538324 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880927 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177984 (14.0209% change) linmin: converged after 12 iterations. iteration 4: trace = 6.588886523633422 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424248258 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469856521 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823720865 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606088 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897131556 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000126 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753233 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969723 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660609 (0.00751906% change) linmin: converged after 4 iterations. iteration 14: trace = 6.468841027070727 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909463 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452068 (0.00114489% change) linmin: converged after 4 iterations. iteration 17: trace = 6.468566795431913 (0.000397676% change) linmin: converged after 5 iterations. iteration 18: trace = 6.46855471194009 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013801 (0.000127106% change) linmin: converged after 4 iterations. iteration 20: trace = 6.468532135358209 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 7 iterations. iteration 21: trace = 6.468498926665486 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 4 iterations. iteration 22: trace = 6.468407161827652 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335222719 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 9 iterations. iteration 24: trace = 6.467419876415282 (0.0103043% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466887403829669 (0.00823349% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466640789885274 (0.00381356% change) linmin: converged after 4 iterations. iteration 27: trace = 6.466547272920179 (0.00144615% change) linmin: converged after 3 iterations. iteration 28: trace = 6.466507039004151 (0.000622187% change) linmin: converged after 4 iterations. iteration 29: trace = 6.466489937739949 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473166366 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920809775 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.46647529991457 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014643 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979756018 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915056383 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179615697 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.466468751724388 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412458812 (5.24654e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466467929859495 (7.46311e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100421397 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255871716 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 5 iterations. iteration 42: trace = 6.466461220018149 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.466451030015613 (0.000157582% change) linmin: converged after 4 iterations. iteration 44: trace = 6.466433013343321 (0.000278618% change) linmin: converged after 5 iterations. iteration 45: trace = 6.466416782668894 (0.000250999% change) linmin: converged after 6 iterations. iteration 46: trace = 6.466409490532879 (0.000112769% change) linmin: converged after 4 iterations. iteration 47: trace = 6.466406899773594 (4.00649e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 6.466406094475754 (1.24536e-05% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405844610281 (3.86405e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905135 (1.15528e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.466405747179779 (3.51437e-07% change) linmin: converged after 19 iterations. iteration 52: trace = 6.466405737994934 (1.42039e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.466405731537491 (9.98614e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 6.46640572491888 (1.02354e-07% change) linmin: converged after 3 iterations. iteration 55: trace = 6.466405718047268 (1.06266e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.466405713275111 (7.37992e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405709707747 (5.51677e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036776 (4.13053e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405704130527 (4.49438e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.46640569908589 (7.8013e-08% change) large trace change predicted (1.56033e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996108 (1.56034e-07% change) large trace change predicted (3.74434e-07%) linmin: converged after 16 iterations. iteration 62: trace = 6.466405664783428 (3.74438e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405627487271 (5.76768e-07% change) linmin: converged after 4 iterations. iteration 64: trace = 6.466405586873796 (6.28069e-07% change) linmin: converged after 14 iterations. iteration 65: trace = 6.466405565063077 (3.37293e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.466405555905936 (1.41611e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.46640555260357 (5.10696e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551333178 (1.9646e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550797722 (8.28058e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.466405550640918 (2.42491e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 6.466405550502343 (2.14299e-09% change) linmin: converged after 4 iterations. iteration 72: trace = 6.466405550443743 (9.06226e-10% change) linmin: converged after 8 iterations. iteration 73: trace = 6.466405550413207 (4.72219e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 6.466405550382264 (4.78523e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550350444 (4.9208e-10% change) large trace change predicted (1.03762e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550283344 (1.03767e-09% change) large trace change predicted (2.15801e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550143788 (2.15817e-09% change) large trace change predicted (4.86869e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549828973 (4.86847e-09% change) linmin: converged after 6 iterations. iteration 79: trace = 6.466405549267133 (8.6886e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.466405548563992 (1.08737e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547890655 (1.04128e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547382092 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546954683 (6.60967e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.466405546504246 (6.9658e-09% change) linmin: converged after 8 iterations. iteration 85: trace = 6.466405546056618 (6.92237e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724276 (5.13952e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536863 (2.89825e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.466405545461591 (1.16405e-09% change) linmin: converged after 2 iterations. iteration 89: trace = 6.466405545440883 (3.20238e-10% change) linmin: converged after 3 iterations. iteration 90: trace = 6.466405545434185 (1.03578e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431808 (3.67556e-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: 0.3553128242492676 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067055919892 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765703277007 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644746541541 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.39465360145244 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.38422085867691 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901270863015 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261061249056 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625085144871 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.37201104702389 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458079209 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011249799 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519786907 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913622542 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529071789 (0.00168629% change) linmin: converged after 4 iterations. iteration 15: trace = 6.368001436742641 (0.000708106% change) linmin: converged after 4 iterations. iteration 16: trace = 6.367977391403074 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304364575 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626639791 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610019551 (0.000173001% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428072496 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388191485 (6.34411e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 6.367915639594873 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.367913674058321 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248325781 (2.23893e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 6.367910983141462 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002775517 (1.53954e-05% change) linmin: converged after 7 iterations. iteration 27: trace = 6.367909483373397 (8.15656e-06% change) linmin: converged after 5 iterations. iteration 28: trace = 6.367909240412405 (3.8154e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 6.367909155902771 (1.32712e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122691762 (5.21537e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103767862 (2.97176e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.367909090578284 (2.07126e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 6.367909079278063 (1.77456e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 6.36790906864886 (1.66918e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 6.367909061036152 (1.19548e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 6.367909056621788 (6.9322e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 6.367909054297066 (3.65068e-08% change) linmin: converged after 4 iterations. iteration 38: trace = 6.367909052624164 (2.62708e-08% change) linmin: converged after 17 iterations. iteration 39: trace = 6.367909051314665 (2.0564e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 6.367909050370922 (1.48203e-08% change) linmin: converged after 6 iterations. iteration 41: trace = 6.367909049791775 (9.09477e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418203 (5.86648e-09% change) linmin: converged after 11 iterations. iteration 43: trace = 6.367909049257638 (2.52147e-09% change) linmin: converged after 5 iterations. iteration 44: trace = 6.367909049201558 (8.80673e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.367909049182618 (2.97421e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 6.367909049171287 (1.77945e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.367909049158719 (1.9736e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144637 (2.21141e-10% change) linmin: converged after 10 iterations. iteration 49: trace = 6.367909049133668 (1.72254e-10% change) linmin: converged after 7 iterations. iteration 50: trace = 6.367909049127854 (9.13018e-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: 0.3841729164123535 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 6.320003260601219 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991301878 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252008628 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874484053 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640203 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354504693 (0.00135245% change) linmin: converged after 4 iterations. iteration 7: trace = 6.307433279783112 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.30742018930068 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.307414904205173 (8.37917e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921335 (4.53004e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.307410415159082 (2.58706e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.307409446531592 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969281 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233313 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328491 (2.0437e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531676 (6.94371e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807232 (2.33447e-07% change) linmin: converged after 28 iterations. iteration 18: trace = 6.307408529970348 (7.66858e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 6.307408528488406 (2.34953e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.307408528005176 (7.6613e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 6.307408527853791 (2.40011e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 6.307408527794087 (9.46573e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 6.307408527756513 (5.95718e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.307408527736831 (3.12046e-10% change) linmin: converged after 8 iterations. iteration 25: trace = 6.307408527727558 (1.47011e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 6.307408527722557 (7.9293e-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: 0.13823866844177246 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613017542 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394765667 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604058506 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186453 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588466 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510433166 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282108077528467 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305501 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384554 (0.000665771% change) linmin: converged after 5 iterations. iteration 10: trace = 6.281988929449378 (0.000297277% change) linmin: converged after 5 iterations. iteration 11: trace = 6.281981237844906 (0.000122439% change) linmin: converged after 4 iterations. iteration 12: trace = 6.281976759972084 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724727 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607899 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094751 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844389 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295187 (8.2059e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 6.281971566101335 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.281971562304192 (6.04451e-08% change) linmin: converged after 17 iterations. iteration 20: trace = 6.281971560806642 (2.38389e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.281971560352624 (7.22731e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 6.281971560186314 (2.64743e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 6.281971560120159 (1.05309e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 6.281971560091682 (4.5331e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 6.281971560080311 (1.81016e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.281971560075131 (8.24559e-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: 0.13792800903320312 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369312 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355607 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834832 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800656 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.28407227131049 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617315 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.28301488213958 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341748 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167347965 (0.00110802% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282747004996446 (0.000846161% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282703557062479 (0.000691546% change) linmin: converged after 4 iterations. iteration 13: trace = 6.282682229335334 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130393076 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965458 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548714 (8.15603e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282671912329277 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190035 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233789 (6.35975e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.282671779010517 (3.53723e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.282671770784775 (1.30927e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.282671767753031 (4.82556e-08% change) linmin: converged after 18 iterations. iteration 23: trace = 6.282671766763952 (1.5743e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.282671766458816 (4.85679e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 6.282671766336979 (1.93925e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.28267176626069 (1.21428e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.28267176620157 (9.40998e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 6.282671766155285 (7.36719e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 6.282671766133058 (3.53777e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123546 (1.51393e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.282671766119803 (5.95873e-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: 0.16335391998291016 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.323058524512494 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025498919 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507405 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212720946 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229451 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398154 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340677024 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630857 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766026 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255122 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455865 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215354 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924449 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016284 (0.0003036% change) linmin: converged after 4 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263545 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.29440743798589 (2.37874e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 6.294406459003854 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379225 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788379 (2.55133e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 6.294405782629284 (6.85674e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766446983 (2.5709e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 6.294405751369194 (2.39543e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.294405733484962 (2.84129e-07% change) linmin: converged after 13 iterations. iteration 25: trace = 6.294405719045231 (2.29406e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 6.294405712361803 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179693 (3.46674e-08% change) linmin: converged after 6 iterations. iteration 28: trace = 6.294405708996525 (1.87971e-08% change) linmin: converged after 5 iterations. iteration 29: trace = 6.294405707877623 (1.77761e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.2944057062863 (2.52815e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 6.294405704817242 (2.33391e-08% change) linmin: converged after 14 iterations. iteration 32: trace = 6.29440570410297 (1.13477e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 6.294405703768755 (5.30972e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 6.294405703545734 (3.54316e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 6.294405703401988 (2.28372e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 6.294405703320328 (1.29734e-09% change) linmin: converged after 5 iterations. iteration 37: trace = 6.294405703286798 (5.32689e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 6.294405703273489 (2.11447e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 6.29440570326861 (7.75095e-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: 0.20454835891723633 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176919448 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727760466 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114859114 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.29686948414719 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595508 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687416 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150625 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841479 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009886 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.296467941171228 (3.52322e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 6.296467865329777 (1.20451e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 6.296467833969863 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830022 (3.83387e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 6.296467783022495 (4.25755e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296467750315619 (5.19448e-07% change) linmin: converged after 18 iterations. iteration 16: trace = 6.296467727879387 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.29646771675302 (1.76708e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.296467707688742 (1.43958e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296467699980612 (1.2242e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296467694261512 (9.08303e-08% change) linmin: converged after 14 iterations. iteration 21: trace = 6.296467691403795 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402606 (1.59008e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296467690046349 (5.65805e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 6.296467689824295 (3.52664e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 6.296467689597055 (3.60901e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 6.296467689392051 (3.25586e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 6.296467689305391 (1.37632e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.296467689279559 (4.10258e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 6.296467689270655 (1.41412e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.296467689265774 (7.75265e-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: 0.1574413776397705 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869233126 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319053 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009888 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028804 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624393 (0.00397086% change) linmin: converged after 4 iterations. iteration 6: trace = 6.301878185411625 (0.00113897% change) linmin: converged after 4 iterations. iteration 7: trace = 6.30185371001891 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262143 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960458 (1.86501e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 6.301846388217068 (8.31095e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 6.301846085008195 (4.81143e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 6.301845888867939 (3.11243e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.301845757623156 (2.08264e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.3018456986197 (9.36288e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235549 (4.82147e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.301845649790872 (2.92687e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.301845629320366 (3.24834e-07% change) linmin: converged after 27 iterations. iteration 18: trace = 6.301845601849131 (4.35924e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.301845579579589 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110161 (1.97869e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.301845561609783 (8.7282e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 6.301845559125032 (3.94289e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 6.301845557289981 (2.91193e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.301845555247248 (3.24148e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038577 (3.5048e-08% change) linmin: converged after 14 iterations. iteration 26: trace = 6.301845551683958 (2.14956e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 6.301845551182743 (7.95346e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 6.301845550984633 (3.14368e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 6.301845550903852 (1.28186e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 6.301845550857779 (7.31109e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.301845550833535 (3.84708e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.301845550825477 (1.27874e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.301845550822886 (4.1112e-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: 0.17322111129760742 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115567009 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197729427 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572930192 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827662821 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208923894 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.309229226564736 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.30920297378027 (0.000416102% change) linmin: converged after 4 iterations. iteration 8: trace = 6.309194406599385 (0.000135789% change) linmin: converged after 4 iterations. iteration 9: trace = 6.309190349198428 (6.43094e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.309187375963127 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.309185567455469 (2.86647e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.309184755087445 (1.2876e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.309184446575746 (4.88988e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.309184352025659 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579775 (8.15413e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 6.30918425767301 (6.80068e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.309184198716078 (9.34462e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.309184133927534 (1.02689e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.309184099681287 (5.428e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106129 (2.46865e-07% change) linmin: converged after 20 iterations. iteration 21: trace = 6.309184076911414 (1.14036e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.309184072438069 (7.09021e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.309184068130108 (6.82808e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.309184063212705 (7.79404e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450098 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362664 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652969 (4.29484e-08% change) linmin: converged after 14 iterations. iteration 28: trace = 6.309184047348853 (2.06701e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.309184046823384 (8.32863e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545849 (4.39891e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.309184046419701 (1.99943e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.309184046373002 (7.40169e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.309184046358344 (2.32336e-10% change) linmin: converged after 7 iterations. iteration 34: trace = 6.309184046353366 (7.89047e-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: 0.1778411865234375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801936853 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470986994 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550843069 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.31862255385145 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349125253 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.318420288428463 (0.000934734% change) linmin: converged after 5 iterations. iteration 7: trace = 6.31837404207218 (0.000731932% change) linmin: converged after 3 iterations. iteration 8: trace = 6.318349508617986 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.31833541152194 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606463 (0.000113399% change) linmin: converged after 4 iterations. iteration 11: trace = 6.318325584766652 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523260235 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770382 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379614 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.31832371779219 (3.33296e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 6.318323450131507 (4.23626e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 6.318323137017638 (4.95565e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162376 (2.81491e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.318322903495005 (8.81047e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.318322888313268 (2.40281e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.31832288379711 (7.14772e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.31832288218135 (2.55726e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.318322881394592 (1.2452e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.318322880964128 (6.81296e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 6.318322880604986 (5.68412e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 6.318322880209569 (6.25827e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.318322879598518 (9.67109e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 6.318322878497074 (1.74325e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 6.318322877602437 (1.41594e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 6.318322877083824 (8.20809e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 6.318322876807079 (4.38004e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.31832287666828 (2.19677e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 6.318322876613936 (8.60089e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598202 (2.49023e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 6.318322876593968 (6.70106e-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: 0.18238282203674316 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568334102 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094154102 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309793142 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591244374 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210166701 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.330643969773289 (0.00188353% change) linmin: converged after 6 iterations. iteration 7: trace = 6.330526348111111 (0.00185799% change) linmin: converged after 6 iterations. iteration 8: trace = 6.330475545172193 (0.000802511% change) linmin: converged after 4 iterations. iteration 9: trace = 6.33045613008073 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155842667 (0.000125966% change) linmin: converged after 4 iterations. iteration 11: trace = 6.330444917481367 (5.11553e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.330441968339577 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826368379 (4.96327e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859943392 (7.84531e-05% change) large trace change predicted (0.000173114%) linmin: converged after 5 iterations. iteration 15: trace = 6.330422902004518 (0.000173099% change) linmin: converged after 4 iterations. iteration 16: trace = 6.330408494634379 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.3303930915438 (0.000243319% change) linmin: converged after 5 iterations. iteration 18: trace = 6.330384367709394 (0.000137809% change) linmin: converged after 5 iterations. iteration 19: trace = 6.330379301963569 (8.00228e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 6.330373672586774 (8.89264e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.330359257170135 (0.000227719% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260545964 (0.000963562% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731259699 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824560780899 (0.00436291% change) linmin: converged after 8 iterations. iteration 25: trace = 6.329581572052558 (0.00383886% change) linmin: converged after 4 iterations. iteration 26: trace = 6.329442197605676 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644333453 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332394987883 (0.000572718% change) linmin: converged after 3 iterations. iteration 29: trace = 6.329321990463312 (0.000164386% change) linmin: converged after 4 iterations. iteration 30: trace = 6.329319097334999 (4.57099e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299591148 (1.26039e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993524026 (4.8357e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 6.32931782259251 (2.70063e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 6.329317711357641 (1.75745e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.329317633962561 (1.2228e-06% change) linmin: converged after 7 iterations. iteration 36: trace = 6.3293175603262 (1.16342e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.329317473876508 (1.36586e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.329317376006295 (1.5463e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 6.329317304033308 (1.13714e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.329317262486397 (6.5642e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.329317230413941 (5.06729e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195130837 (5.57455e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.329317162790356 (5.10963e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.329317144647031 (2.86655e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134195249 (1.65133e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125585882 (1.36024e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.32931711538567 (1.61158e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.329317101046333 (2.26554e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075086136 (4.10158e-07% change) large trace change predicted (8.6093e-07%) linmin: converged after 4 iterations. iteration 50: trace = 6.32931702059364 (8.60954e-07% change) large trace change predicted (2.13453e-06%) linmin: converged after 4 iterations. iteration 51: trace = 6.329316885483351 (2.13467e-06% change) large trace change predicted (4.29483e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613604067 (4.29556e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.329316332902917 (4.43494e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.329316191080839 (2.24072e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143724072 (7.48213e-07% change) linmin: converged after 2 iterations. iteration 56: trace = 6.32931612691945 (2.65505e-07% change) linmin: converged after 2 iterations. iteration 57: trace = 6.329316120011186 (1.09147e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.329316116848489 (4.9969e-08% change) linmin: converged after 11 iterations. iteration 59: trace = 6.32931611540203 (2.28533e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 6.329316114739067 (1.04745e-08% change) linmin: converged after 17 iterations. iteration 61: trace = 6.329316114244065 (7.82077e-09% change) linmin: converged after 3 iterations. iteration 62: trace = 6.329316113568142 (1.06792e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.329316112498403 (1.69013e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 6.329316111377995 (1.77019e-08% change) linmin: converged after 9 iterations. iteration 65: trace = 6.329316110808523 (8.99738e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.329316110612067 (3.10389e-09% change) linmin: converged after 10 iterations. iteration 67: trace = 6.329316110525595 (1.36622e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 6.329316110484548 (6.48525e-10% change) linmin: converged after 7 iterations. iteration 69: trace = 6.329316110466231 (2.89398e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458725 (1.18591e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.329316110451622 (1.1222e-10% change) linmin: converged after 5 iterations. iteration 72: trace = 6.329316110445949 (8.96413e-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: 0.3736143112182617 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697536303201 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242988237525 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448562184 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752669056 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965194885 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549435416 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.36476276058253 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.36450524990704 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314498540323 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187771985294 (0.00199122% change) linmin: converged after 4 iterations. iteration 11: trace = 6.364105952168976 (0.00128564% change) large trace change predicted (0.0030501%) linmin: converged after 6 iterations. iteration 12: trace = 6.363911984415829 (0.00304789% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499499467922 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.360271349163779 (0.0193079% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373317002655 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557323645214 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758958499807 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.35695034323872 (0.0127194% change) linmin: converged after 4 iterations. iteration 19: trace = 6.35611215288494 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.355221015272518 (0.0140212% change) linmin: converged after 8 iterations. iteration 21: trace = 6.354246263985346 (0.015339% change) linmin: converged after 5 iterations. iteration 22: trace = 6.353159837138788 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.351960876425778 (0.0188737% change) linmin: converged after 5 iterations. iteration 24: trace = 6.350699412604389 (0.0198614% change) linmin: converged after 5 iterations. iteration 25: trace = 6.349458050557834 (0.0195488% change) linmin: converged after 6 iterations. iteration 26: trace = 6.348291578419032 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.347197864693417 (0.01723% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140633815999 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081410384495 (0.0166922% change) linmin: converged after 8 iterations. iteration 30: trace = 6.343999251386254 (0.0170565% change) linmin: converged after 9 iterations. iteration 31: trace = 6.342897961876366 (0.0173611% change) linmin: converged after 8 iterations. iteration 32: trace = 6.341800654567242 (0.0173013% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340734161073415 (0.0168183% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713640087563 (0.016096% change) linmin: converged after 6 iterations. iteration 35: trace = 6.338736940994969 (0.0154072% change) linmin: converged after 6 iterations. iteration 36: trace = 6.337788331565756 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845686492276 (0.0148745% change) linmin: converged after 5 iterations. iteration 38: trace = 6.335887507862047 (0.0151219% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899742791724 (0.0155912% change) linmin: converged after 7 iterations. iteration 40: trace = 6.33388333482223 (0.0160459% change) linmin: converged after 6 iterations. iteration 41: trace = 6.332860720170293 (0.0161464% change) linmin: converged after 9 iterations. iteration 42: trace = 6.331873813667363 (0.0155851% change) linmin: converged after 6 iterations. iteration 43: trace = 6.330966819096 (0.0143253% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330164299925195 (0.0126769% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464372380945 (0.0110576% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847837253329 (0.00974119% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289834079602 (0.00881721% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766871690526 (0.00826422% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259814739123 (0.00801353% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755052200949 (0.0079779% change) linmin: converged after 6 iterations. iteration 51: trace = 6.326245063552461 (0.00806115% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325728406387603 (0.00816722% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208532109231 (0.00821875% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691192897749 (0.00817934% change) linmin: converged after 5 iterations. iteration 55: trace = 6.32418131676835 (0.008062% change) linmin: converged after 4 iterations. iteration 56: trace = 6.323680849756232 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.323188337463843 (0.00778868% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699800457221 (0.00772642% change) linmin: converged after 4 iterations. iteration 59: trace = 6.32220995003833 (0.00774779% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713036183518 (0.00786012% change) linmin: converged after 6 iterations. iteration 61: trace = 6.321203066695047 (0.00806728% change) linmin: converged after 5 iterations. iteration 62: trace = 6.320673488649551 (0.00837816% change) linmin: converged after 4 iterations. iteration 63: trace = 6.320116649571254 (0.00881019% change) linmin: converged after 5 iterations. iteration 64: trace = 6.319523483021659 (0.00938581% change) linmin: converged after 6 iterations. iteration 65: trace = 6.318883937910555 (0.0101207% change) linmin: converged after 6 iterations. iteration 66: trace = 6.318188715005078 (0.0110029% change) linmin: converged after 5 iterations. iteration 67: trace = 6.317432702550955 (0.0119664% change) linmin: converged after 7 iterations. iteration 68: trace = 6.316619611812056 (0.0128714% change) linmin: converged after 5 iterations. iteration 69: trace = 6.315765477837653 (0.0135229% change) resetting CG direction... large trace change predicted (0.188896%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775174577306 (0.190028% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300360058408968 (0.0541904% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320256441908 (0.0165052% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061181525553 (0.00411283% change) linmin: converged after 4 iterations. iteration 74: trace = 6.298946771259146 (0.00181632% change) linmin: converged after 4 iterations. iteration 75: trace = 6.298877891803709 (0.00109351% change) linmin: converged after 3 iterations. iteration 76: trace = 6.298793452892741 (0.00134055% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725859063127 (0.00107313% change) linmin: converged after 3 iterations. iteration 78: trace = 6.298682944519953 (0.000681323% change) linmin: converged after 4 iterations. iteration 79: trace = 6.29864221568701 (0.000646627% change) linmin: converged after 5 iterations. iteration 80: trace = 6.298616555471093 (0.000407394% change) linmin: converged after 3 iterations. iteration 81: trace = 6.298604027244208 (0.000198905% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598786767723 (8.32006e-05% change) linmin: converged after 13 iterations. iteration 83: trace = 6.298597355810331 (2.27187e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365544952 (1.5722e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 6.298595760174789 (9.61119e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.298595315606241 (7.05822e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.298595099402796 (3.43257e-06% change) linmin: converged after 5 iterations. iteration 88: trace = 6.298595020048514 (1.25987e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974718488 (7.19685e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.298594929355549 (7.20207e-07% change) linmin: converged after 5 iterations. iteration 91: trace = 6.298594895493468 (5.37613e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.29859487734872 (2.88076e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821764 (1.35379e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.298594864524702 (6.82226e-08% change) linmin: converged after 5 iterations. iteration 95: trace = 6.298594862453116 (3.28897e-08% change) linmin: converged after 5 iterations. iteration 96: trace = 6.298594861905826 (8.68907e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.298594861732283 (2.75526e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.298594861685761 (7.38608e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.298594861667206 (2.94603e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.298594861658033 (1.45623e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.298594861654117 (6.21864e-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: 0.5236377716064453 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987171944 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.28955423335507 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394323479 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833051089 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916024 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170498 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992351954 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090414 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408597 (8.25561e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 6.282610016564485 (3.92805e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282609109449709 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832884 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505968 (1.99482e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.282608607802812 (8.0704e-07% change) linmin: converged after 16 iterations. iteration 15: trace = 6.282608579576458 (4.49278e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.282608566246184 (2.12177e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481412 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131917 (5.33138e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.282608553958254 (1.86811e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 6.282608553518152 (7.00509e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282608553300059 (3.47138e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 6.282608553188998 (1.76774e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.282608553137477 (8.20065e-10% change) linmin: converged after 9 iterations. iteration 24: trace = 6.282608553118512 (3.01869e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.282608553113039 (8.71128e-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: 0.13265371322631836 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067842924 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191718015 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393771 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418347 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183219 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857600838 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232902 (0.00107795% change) linmin: converged after 3 iterations. iteration 8: trace = 6.2968404809401 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565332 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246111 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029671 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555443 (6.91577e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.296830816318612 (6.87163e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 6.29683079971516 (2.63679e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.296830794163734 (8.81622e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811524 (3.73555e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296830790795296 (1.61387e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296830790487541 (4.88745e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381241 (1.68815e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296830790332563 (7.73062e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 6.296830790305165 (4.35102e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293809 (1.80349e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 6.296830790289762 (6.42631e-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: 0.12745451927185059 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112052759 (0.562684% change) linmin: converged after 5 iterations. iteration 2: trace = 6.360316161578853 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854639 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097685688 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306032 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160625 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703364 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894802455 (0.000383254% change) linmin: converged after 5 iterations. iteration 9: trace = 6.356057959422966 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445722 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803916 (3.17279e-05% change) linmin: converged after 9 iterations. iteration 12: trace = 6.35605045638664 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440094 (6.02491e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.356049967376737 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529148 (7.52788e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 6.356049901388714 (2.85404e-07% change) linmin: converged after 23 iterations. iteration 17: trace = 6.356049892735022 (1.36149e-07% change) linmin: converged after 7 iterations. iteration 18: trace = 6.356049887839801 (7.70167e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356049885346999 (3.92194e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.356049883857863 (2.34286e-08% change) linmin: converged after 19 iterations. iteration 21: trace = 6.356049883361594 (7.80782e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 6.356049883209118 (2.39892e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 6.356049883160935 (7.58062e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.356049883141626 (3.03789e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.356049883134012 (1.19797e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 6.356049883130341 (5.77535e-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: 0.13933062553405762 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768773026 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.47173017373716 (0.195685% change) linmin: converged after 3 iterations. iteration 3: trace = 6.469268167064769 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.46836247966375 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016953044 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054185 (0.000950981% change) linmin: converged after 9 iterations. iteration 7: trace = 6.467983140883024 (0.000562247% change) linmin: converged after 4 iterations. iteration 8: trace = 6.467960050007364 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636743 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580863 (0.000446853% change) linmin: converged after 5 iterations. iteration 11: trace = 6.467871940836445 (0.000407084% change) linmin: converged after 6 iterations. iteration 12: trace = 6.467850751198654 (0.000327614% change) linmin: converged after 5 iterations. iteration 13: trace = 6.467835734516932 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737195191 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038945 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 4 iterations. iteration 16: trace = 6.467537992289671 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 11 iterations. iteration 17: trace = 6.467054240855486 (0.00747996% change) linmin: converged after 5 iterations. iteration 18: trace = 6.466680782267741 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440556 (0.00269434% change) linmin: converged after 9 iterations. iteration 20: trace = 6.466437876282212 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.46641707256345 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.46641091863033 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279500585 (2.53484e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 6.466408508490151 (1.19233e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 6.466407804625975 (1.08849e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.466407055859795 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660054603 (6.12094e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 6.466406474887444 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394960456 (1.23603e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.46640636440541 (4.7252e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466406353488682 (1.68822e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 6.466406348132445 (8.28317e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 6.466406341484373 (1.02809e-07% change) large trace change predicted (2.07295e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328079807 (2.07295e-07% change) large trace change predicted (4.92867e-07%) linmin: converged after 7 iterations. iteration 35: trace = 6.46640629620917 (4.92865e-07% change) large trace change predicted (1.36406e-06%) linmin: converged after 7 iterations. iteration 36: trace = 6.466406208002428 (1.36408e-06% change) large trace change predicted (3.01551e-06%) linmin: converged after 5 iterations. iteration 37: trace = 6.466406012999509 (3.01563e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405814967528 (3.06247e-06% change) linmin: converged after 5 iterations. iteration 39: trace = 6.466405733806033 (1.25513e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.466405707718666 (4.03429e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697281853 (1.61401e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 6.466405689115523 (1.26289e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 6.46640567985519 (1.43207e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.466405673445264 (9.91266e-08% change) linmin: converged after 3 iterations. iteration 45: trace = 6.466405669427433 (6.21339e-08% change) linmin: converged after 17 iterations. iteration 46: trace = 6.466405667382443 (3.16248e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.466405666184074 (1.85322e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665512131 (1.03913e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 6.466405664658137 (1.32066e-08% change) large trace change predicted (3.62448e-08%) linmin: converged after 4 iterations. iteration 50: trace = 6.466405662314398 (3.62449e-08% change) large trace change predicted (1.23505e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654328076 (1.23505e-07% change) large trace change predicted (2.49093e-07%) linmin: converged after 4 iterations. iteration 52: trace = 6.466405638220568 (2.49095e-07% change) linmin: converged after 18 iterations. iteration 53: trace = 6.466405616905311 (3.29631e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405589348838 (4.26148e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 6.466405565244347 (3.72765e-07% change) linmin: converged after 7 iterations. iteration 56: trace = 6.466405553442912 (1.82504e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405548893484 (7.03548e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 6.466405546942669 (3.01685e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.46640554606703 (1.35414e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405545765768 (4.65888e-09% change) linmin: converged after 12 iterations. iteration 61: trace = 6.466405545618354 (2.27968e-09% change) linmin: converged after 6 iterations. iteration 62: trace = 6.466405545535149 (1.28672e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.466405545465518 (1.07682e-09% change) linmin: converged after 7 iterations. iteration 64: trace = 6.466405545408695 (8.78742e-10% change) linmin: converged after 4 iterations. iteration 65: trace = 6.466405545374327 (5.31486e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.466405545356951 (2.68717e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 6.466405545350961 (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: 0.2574446201324463 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972592 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840945 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454931 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513122 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618368 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.816173029367493 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140975 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606962 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898026 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418461 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707203 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364366 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871786 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618368) to band 4 (0.816173029367493), 3.5013177610942434% Gap from band 5 (0.9220849425898026) to band 6 (1.0168656683915518), 9.776497169649742% Gap from band 7 (1.1593702273707203) to band 8 (1.1636719050364366), 0.3703486566779469% total elapsed time for run: 3.632388114929199 done /tmp/meepWcFBDI/test_honey_rods-0: 5.43s /tmp/meepWcFBDI/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<0.09999999999999999, 0.35, 0.0> Vector3<0.19999999999999998, 0.7, 0.0> Vector3<0.3, 1.0499999999999998, 0.0> Vector3<0.39999999999999997, 1.4, 0.0> Vector3<0.49999999999999994, 1.75, 0.0> elapsed time for initialization: 0.018489599227905273 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 = 1.196766755531399 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.307431717458137 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025026 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197158 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624345 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438201 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436859 (0.00437017% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2804487080528675 (0.000382526% change) linmin: converged after 5 iterations. iteration 9: trace = 0.280448528772916 (6.39261e-05% change) linmin: converged after 11 iterations. iteration 10: trace = 0.2804485117540526 (6.06844e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.28044850913147 (9.35139e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.280448508921055 (7.5028e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2804485089016288 (6.92685e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974193 (1.50096e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2804485088970552 (1.29827e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 0.280448508896992 (2.2545e-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 = 5.347589494001503 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927671 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496757 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329407 (4.76092% change) linmin: converged after 5 iterations. iteration 5: trace = 1.226166609694007 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652074 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880578 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842133 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833314 (0.0266404% change) linmin: converged after 6 iterations. iteration 10: trace = 1.217144671073509 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209402 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.214943060555856 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188193 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082423 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607445 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.21295972248455 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880446 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511909 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769637 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.212099650116122 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915324 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.2119660203145 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935236 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840141 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049094 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.211809541117951 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378114 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161119 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648677 (0.00327605% change) linmin: converged after 9 iterations. iteration 30: trace = 1.211675291898185 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.21166228099124 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382932327 (0.00155969% change) linmin: converged after 3 iterations. iteration 33: trace = 1.211626599948233 (0.00138515% change) linmin: converged after 3 iterations. iteration 34: trace = 1.211614078107571 (0.00103348% change) linmin: converged after 3 iterations. iteration 35: trace = 1.211602453599104 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303632246 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448991223 (0.000153074% change) linmin: converged after 3 iterations. iteration 38: trace = 1.211594613235567 (0.000151516% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534415718 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947241252 (0.000130999% change) linmin: converged after 4 iterations. iteration 41: trace = 1.211590215643257 (6.03833e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891732798 (2.67343e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741313992 (1.2415e-05% change) linmin: converged after 11 iterations. iteration 44: trace = 1.211589683154726 (4.80024e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.2115896390324 (3.64169e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.211589594612027 (3.66629e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.21158956839895 (2.16353e-06% change) linmin: converged after 17 iterations. iteration 48: trace = 1.21158955636713 (9.93061e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 1.211589549125093 (5.9773e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167815 (4.09155e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539502041 (3.85095e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.21158953334452 (5.08218e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.21158952457253 (7.24007e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.211589518683528 (4.86056e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923181 (2.27829e-07% change) linmin: converged after 2 iterations. iteration 56: trace = 1.211589512935517 (2.4659e-07% change) linmin: converged after 19 iterations. iteration 57: trace = 1.2115895099056 (2.50078e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 1.21158950724223 (2.19824e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813956 (2.0042e-07% change) linmin: converged after 2 iterations. iteration 60: trace = 1.211589503458429 (1.1188e-07% change) linmin: converged after 6 iterations. iteration 61: trace = 1.211589502828603 (5.19834e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 1.211589502438198 (3.22226e-08% change) linmin: converged after 2 iterations. iteration 63: trace = 1.211589502003773 (3.58558e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370273 (5.22866e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.211589501031976 (2.79218e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878286 (1.2685e-08% change) linmin: converged after 2 iterations. iteration 67: trace = 1.211589500792742 (7.06041e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.21158950076779 (2.05945e-09% change) linmin: converged after 2 iterations. iteration 69: trace = 1.211589500755974 (9.75275e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 1.211589500751495 (3.69705e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746376 (4.22449e-10% change) linmin: converged after 2 iterations. iteration 72: trace = 1.211589500739957 (5.29844e-10% change) linmin: converged after 3 iterations. iteration 73: trace = 1.211589500735584 (3.6089e-10% change) linmin: converged after 4 iterations. iteration 74: trace = 1.211589500732072 (2.89929e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 1.211589500730078 (1.64519e-10% change) linmin: converged after 6 iterations. iteration 76: trace = 1.211589500729287 (6.53164e-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: 2.3587920665740967 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/meepWcFBDI/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/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 = 0.185975448109157 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650497 (0.0642985% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1858523719592241 (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 = 0.1858522774470824 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945269 (2.82781e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1858522773930404 (7.99862e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1858522773929407 (5.36586e-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 = 1.339583206388387 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.330637626462639 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522133 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417053891 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994199 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842350962 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191705 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891724 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847718 (0.000834733% change) linmin: converged after 5 iterations. iteration 10: trace = 1.321725729409968 (0.00104351% change) linmin: converged after 4 iterations. iteration 11: trace = 1.321717827626855 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.321715607967439 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062385 (9.79716e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.321713670509661 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.321713167838959 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347912 (3.61267e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.321712534925988 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.321712450688093 (6.37339e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.321712392022337 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288404 (6.94054e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 1.321712123339074 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292292 (7.87212e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 1.321711840507166 (1.35268e-05% change) linmin: converged after 6 iterations. iteration 24: trace = 1.321711646564138 (1.46736e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307576 (8.34195e-06% change) linmin: converged after 5 iterations. iteration 26: trace = 1.321711488278965 (3.63382e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300958 (1.28455e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 1.321711467138337 (3.14942e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116614 (7.7303e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723462 (2.97457e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580985 (1.07797e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.321711465510915 (5.30141e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480893 (2.27151e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470902 (7.55889e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466493 (3.33543e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 1.321711465464972 (1.15095e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463817 (8.73757e-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: 1.4262311458587646 Fixing e-field (band 1) phase by -1 + 2.71685e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662327 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08277e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791574 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15885e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000718999 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05412e-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 2.44631e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06441e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03319e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314791 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782935 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841856 (0.140709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622853 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807253 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219116 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.67317e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2385111399178052 (4.85147e-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 = 1.328636670009943 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404601099 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076145653 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425798565 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727765917 (0.005592% change) linmin: converged after 4 iterations. iteration 6: trace = 1.317830321379085 (0.00397664% change) linmin: converged after 5 iterations. iteration 7: trace = 1.317816402660626 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033884423 (0.000786818% change) linmin: converged after 15 iterations. iteration 9: trace = 1.317799113942915 (0.000525112% change) linmin: converged after 4 iterations. iteration 10: trace = 1.317797254179926 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412530966 (6.38679e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.317796108433902 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055319377 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024475275 (2.34058e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.3177960132557 (8.51389e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 1.317796004199619 (6.87214e-07% change) large trace change predicted (1.71404e-06%) linmin: converged after 14 iterations. iteration 17: trace = 1.317795981612189 (1.71403e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.31779594462338 (2.80687e-06% change) large trace change predicted (6.37228e-06%) linmin: converged after 4 iterations. iteration 19: trace = 1.317795860651363 (6.37216e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.317795777380737 (6.31893e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.317795748000618 (2.22949e-06% change) linmin: converged after 21 iterations. iteration 22: trace = 1.317795733123424 (1.12895e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.317795727441445 (4.31173e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798871 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846537 (7.22672e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608517 (1.80619e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99759e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.317795723438862 (4.87661e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 1.317795723419227 (1.48999e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.31779572341164 (5.7572e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409144 (1.89357e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.31779572340844 (5.34809e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 1.2993664741516113 Fixing e-field (band 1) phase by 1 + -6.73909e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.18012e-10 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.02081e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.6582e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3014e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.87711e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.0807e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.68114e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07971e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83177e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.76626e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.94517e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398263 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863806 (0.217107% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3098220243218766 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274153 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848051 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379582 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286764 (2.99587e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3098213371284356 (7.77067e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189128393 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993779161 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436162598 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168233599 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376390759 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612842452 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.306921046901268 (0.00356296% change) linmin: converged after 6 iterations. iteration 8: trace = 1.306903167980062 (0.00136803% change) linmin: converged after 5 iterations. iteration 9: trace = 1.306896582436352 (0.000503906% change) linmin: converged after 4 iterations. iteration 10: trace = 1.306894468949048 (0.000161718% change) linmin: converged after 4 iterations. iteration 11: trace = 1.306893729366379 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106708315 (4.76441e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656131887 (3.44769e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370749401 (2.18367e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063567688 (2.35047e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.306891774949368 (2.20843e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306603501 (3.58366e-05% change) large trace change predicted (0.0001439%) linmin: converged after 5 iterations. iteration 18: trace = 1.306889429012613 (0.000143669% change) large trace change predicted (0.000647087%) linmin: converged after 19 iterations. iteration 19: trace = 1.306881342231115 (0.000618783% change) near maximum in trace linmin: converged after 8 iterations. iteration 20: trace = 1.306841864872534 (0.00302078% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317167198 (0.00210798% change) linmin: converged after 5 iterations. iteration 22: trace = 1.306780215442429 (0.00260957% change) linmin: converged after 6 iterations. iteration 23: trace = 1.306736702568032 (0.00332983% change) linmin: converged after 5 iterations. iteration 24: trace = 1.306707761370164 (0.00221479% change) linmin: converged after 7 iterations. iteration 25: trace = 1.306694949749591 (0.000980455% change) linmin: converged after 5 iterations. iteration 26: trace = 1.306687571651998 (0.00056464% change) linmin: converged after 3 iterations. iteration 27: trace = 1.306683169609475 (0.000336886% change) linmin: converged after 5 iterations. iteration 28: trace = 1.30668046094148 (0.000207294% change) linmin: converged after 5 iterations. iteration 29: trace = 1.306678613908604 (0.000141353% change) linmin: converged after 4 iterations. iteration 30: trace = 1.306677292044312 (0.000101162% change) linmin: converged after 4 iterations. iteration 31: trace = 1.306676263738142 (7.86963e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 1.306675403263091 (6.58522e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672956425 (5.58905e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 1.30667410887152 (4.31695e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737698288 (2.8406e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.306673513930189 (1.7125e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362517519 (1.15876e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.306673228416564 (1.02628e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.30667310970843 (9.08476e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 1.306673026774975 (6.34692e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 1.306672971280758 (4.24699e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931196477 (3.06766e-06% change) linmin: converged after 6 iterations. iteration 43: trace = 1.306672900414846 (2.35573e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 1.306672873949374 (2.02541e-06% change) linmin: converged after 25 iterations. iteration 45: trace = 1.306672849948545 (1.83679e-06% change) linmin: converged after 9 iterations. iteration 46: trace = 1.306672828029435 (1.67747e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.306672808490706 (1.4953e-06% change) linmin: converged after 13 iterations. iteration 48: trace = 1.306672792913466 (1.19213e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.306672780725275 (9.32765e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 1.306672769617146 (8.50108e-07% change) linmin: converged after 11 iterations. iteration 51: trace = 1.306672758266316 (8.68682e-07% change) linmin: converged after 4 iterations. iteration 52: trace = 1.306672746659048 (8.88307e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.306672734225458 (9.51546e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 1.306672719741758 (1.10844e-06% change) linmin: converged after 7 iterations. iteration 55: trace = 1.306672703445966 (1.24712e-06% change) linmin: converged after 8 iterations. iteration 56: trace = 1.306672685738197 (1.35518e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664166575 (1.65088e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.306672633615872 (2.33805e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.306672591441604 (3.22761e-06% change) linmin: converged after 4 iterations. iteration 60: trace = 1.30667254594295 (3.48202e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 1.306672503491369 (3.24883e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 1.306672460327079 (3.30337e-06% change) linmin: converged after 9 iterations. iteration 63: trace = 1.306672416039312 (3.38936e-06% change) linmin: converged after 5 iterations. iteration 64: trace = 1.306672371437268 (3.41341e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322009002 (3.78276e-06% change) linmin: converged after 4 iterations. iteration 66: trace = 1.306672266758658 (4.22832e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 1.306672213724817 (4.05869e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 1.306672169726959 (3.36717e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 1.306672130566303 (2.99698e-06% change) resetting CG direction... large trace change predicted (6.25462e-06%) linmin: converged after 3 iterations. iteration 70: trace = 1.306672048839549 (6.25457e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012694662 (2.76618e-06% change) linmin: converged after 5 iterations. iteration 72: trace = 1.306672000099603 (9.63904e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995812333 (3.28106e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993005256 (2.14826e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990403272 (1.99131e-07% change) linmin: converged after 4 iterations. iteration 76: trace = 1.306671989146128 (9.62096e-08% change) linmin: converged after 2 iterations. iteration 77: trace = 1.306671988470729 (5.16885e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987977183 (3.77712e-08% change) linmin: converged after 22 iterations. iteration 79: trace = 1.306671987243414 (5.61556e-08% change) large trace change predicted (1.12947e-07%) linmin: converged after 2 iterations. iteration 80: trace = 1.306671985767561 (1.12947e-07% change) large trace change predicted (2.50018e-07%) linmin: converged after 4 iterations. iteration 81: trace = 1.306671982500659 (2.50017e-07% change) large trace change predicted (5.41931e-07%) linmin: converged after 12 iterations. iteration 82: trace = 1.30667197541945 (5.41927e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966777389 (6.6138e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 1.306671961714378 (3.87474e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 1.306671959299905 (1.8478e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817314 (1.89993e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.306671955127794 (1.29299e-07% change) linmin: converged after 3 iterations. iteration 88: trace = 1.306671954377647 (5.7409e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.306671954035934 (2.61514e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.306671953899618 (1.04323e-08% change) linmin: converged after 3 iterations. iteration 91: trace = 1.306671953836771 (4.8097e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 1.306671953798469 (2.93125e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790946 (5.75762e-10% change) linmin: converged after 4 iterations. iteration 94: trace = 1.306671953788974 (1.50899e-10% change) linmin: converged after 6 iterations. iteration 95: trace = 1.306671953788098 (6.70379e-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: 3.3986871242523193 Fixing e-field (band 1) phase by 1 + -4.6229e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by 3.66735e-12 + 1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by 1 + 4.17696e-16i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 6.61877e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 5.94071e-16i; max ampl. = 0.496332 Fixing e-field (band 6) phase by 2.26739e-11 + -1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + -1.57342e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by -3.69589e-11 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + 1.0809e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -4.03304e-13i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -1.20957e-10 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.30084e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/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 = 0.3762985016867428 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371677 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522108 (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 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3749802403822896 (1.59052e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3749802403822777 (3.168e-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 = 1.29801103746393 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309343192 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984128687 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.287877230174911 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.28768833907645 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849712973 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287235864 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985815562 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768632893 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500852641 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726439945 (0.231794% change) linmin: converged after 9 iterations. iteration 12: trace = 1.275637347411182 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202244988815 (0.112564% change) linmin: converged after 6 iterations. iteration 14: trace = 1.273022593107757 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215368399 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347535925079 (0.0576135% change) linmin: converged after 8 iterations. iteration 17: trace = 1.270883530821748 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409161669 (0.0208634% change) linmin: converged after 5 iterations. iteration 19: trace = 1.270378371111752 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933644239 (0.0215264% change) linmin: converged after 4 iterations. iteration 21: trace = 1.269895617131213 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882652935 (0.00887785% change) linmin: converged after 5 iterations. iteration 23: trace = 1.269719750621381 (0.004972% change) linmin: converged after 3 iterations. iteration 24: trace = 1.269676766125309 (0.00338541% change) linmin: converged after 4 iterations. iteration 25: trace = 1.269642283469714 (0.0027159% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087248423 (0.00182701% change) linmin: converged after 3 iterations. iteration 27: trace = 1.269607472562521 (0.000914821% change) linmin: converged after 5 iterations. iteration 28: trace = 1.269600759437758 (0.000528757% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595124995748 (0.000443797% change) linmin: converged after 6 iterations. iteration 30: trace = 1.269590376559836 (0.000374013% change) linmin: converged after 8 iterations. iteration 31: trace = 1.269587297954458 (0.000242488% change) linmin: converged after 5 iterations. iteration 32: trace = 1.269585545813961 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427088748 (8.81174e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608531774 (6.44744e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842575 (4.44783e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117826 (2.62862e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 1.269582517553223 (1.51676e-05% change) linmin: converged after 18 iterations. iteration 38: trace = 1.269582385123415 (1.0431e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.269582283109218 (8.03526e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.269582214895699 (5.37291e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 1.269582174665767 (3.16875e-06% change) linmin: converged after 14 iterations. iteration 42: trace = 1.26958214821083 (2.08375e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 1.269582127623648 (1.62157e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947773 (1.23473e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 1.269582102246024 (7.64169e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 1.269582096787136 (4.29975e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 1.269582093349709 (2.70753e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147519 (1.73458e-07% change) linmin: converged after 23 iterations. iteration 49: trace = 1.269582089806849 (1.05599e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919356 (6.99043e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275103 (5.07453e-08% change) linmin: converged after 9 iterations. iteration 52: trace = 1.269582087761066 (4.04886e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 1.26958208736255 (3.13896e-08% change) linmin: converged after 3 iterations. iteration 54: trace = 1.269582087136699 (1.77894e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087015967 (9.50961e-09% change) linmin: converged after 6 iterations. iteration 56: trace = 1.26958208692193 (7.40687e-09% change) linmin: converged after 3 iterations. iteration 57: trace = 1.269582086848811 (5.75934e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086811079 (2.97197e-09% change) linmin: converged after 9 iterations. iteration 59: trace = 1.269582086792676 (1.44954e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781361 (8.91269e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771839 (7.49971e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763131 (6.85941e-10% change) linmin: converged after 3 iterations. iteration 63: trace = 1.26958208675703 (4.80544e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753378 (2.87599e-10% change) linmin: converged after 13 iterations. iteration 65: trace = 1.269582086751168 (1.74126e-10% change) linmin: converged after 4 iterations. iteration 66: trace = 1.269582086749808 (1.07089e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 1.269582086748958 (6.70026e-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: 2.450840711593628 Fixing e-field (band 1) phase by 1 + -5.70545e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.78215e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -1.25589e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 6.23463e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 5.679e-16i; max ampl. = 0.505749 Fixing e-field (band 6) phase by 2.1633e-11 + -1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + -3.02469e-15i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.88704e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by 1 + -1.06652e-13i; max ampl. = 0.43823 Fixing e-field (band 10) phase by -1.20409e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.90851e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -3.22577e-14 + 1i; max ampl. = 0.443866 Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/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 = 0.4044979732169227 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120756 (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 = 0.4024193537536843 (5.53985e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.4024193537529457 (1.83548e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.4024193537529307 (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 = 1.246579896083917 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423794463 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101459 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273213 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.240049955230069 (0.00199281% change) linmin: converged after 5 iterations. iteration 6: trace = 1.240046276550808 (0.000296656% change) linmin: converged after 5 iterations. iteration 7: trace = 1.24004544549869 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286186 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300233 (1.93428e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 1.240045258080154 (4.20959e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186142 (7.20951e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 1.240045257084781 (8.17397e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.240045257064699 (1.61949e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061233 (2.79462e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 1.24004525706096 (2.20604e-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: 0.7566602230072021 Fixing e-field (band 1) phase by 1 + -5.03646e-17i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 2.80271e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -2.5993e-16i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -4.54587e-13 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by -1 + 1.1854e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by -2.33603e-11 + -1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 3.12976e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by -3.85975e-13 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + -2.33091e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by 8.81578e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -2.00359e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by -1.13227e-12 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepWcFBDI/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<0.49999999999999994, 1.75, 0.0> Band 2 range: 0.10088801014542138 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278265 at Vector3<0.49999999999999994, 1.75, 0.0> Band 3 range: 0.11054374616923922 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797386 at Vector3<0.49999999999999994, 1.75, 0.0> Band 4 range: 0.19143758098896188 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898794 at Vector3<0.49999999999999994, 1.75, 0.0> Band 5 range: 0.20907741437429664 at Vector3<0.0, 0.0, 0.0> to 0.264706957428105 at Vector3<0.39999999999999997, 1.4, 0.0> Band 6 range: 0.25276899480758824 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.39999999999999997, 1.4, 0.0> Band 7 range: 0.33733710311255777 at Vector3<0.0, 0.0, 0.0> to 0.4424976649169414 at Vector3<0.49999999999999994, 1.75, 0.0> Band 8 range: 0.44826277655382296 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.4683903271760479 at Vector3<0.3, 1.0499999999999998, 0.0> Band 9 range: 0.45149540295292045 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.471319483622773 at Vector3<0.19999999999999998, 0.7, 0.0> Band 10 range: 0.4564025367780169 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.49648508869253233 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804313974 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.499487769383241 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.46569046397212344 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.5451229846661456 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255777), 21.874512652722238% Gap from band 7 (0.4424976649169414) to band 8 (0.44826277655382296), 1.2944247113988512% total elapsed time for run: 11.983748435974121 done /tmp/meepWcFBDI/test_line_defect-0: 11.99s /tmp/meepWcFBDI/test_list_split-0 ======================== /tmp/meepWcFBDI/test_list_split-0: 0.00s /tmp/meepWcFBDI/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: 0.002297639846801758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20416736602783203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6315736770629883 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13829946517944336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12790870666503906 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14809226989746094 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20871686935424805 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1726551055908203 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14799141883850098 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12658214569091797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12852263450622559 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12123274803161621 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09612226486206055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11147785186767578 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1620182991027832 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17807269096374512 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3568387031555176 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0635900497436523 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: 0.002243518829345703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.21176791191101074 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6406421661376953 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13714599609375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12659096717834473 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14795613288879395 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20852136611938477 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17490553855895996 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1476423740386963 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12668275833129883 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12191557884216309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12175917625427246 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09614968299865723 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11144900321960449 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15253090858459473 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17844891548156738 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3554196357727051 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0627505779266357 done /tmp/meepWcFBDI/test_load_and_save_eigenvectors-0: 6.13s /tmp/meepWcFBDI/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: 0.0020475387573242188 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 = 0.4898474331528376 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606201 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058374 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.211879577247094 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911634 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528236 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.209083764005222 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.20908357456065 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835294053878 (2.15968e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.2090835264202495 (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 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08602e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.20908352617051 (4.52408e-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: 0.006001472473144531 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886067 (4.6103% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2077435553715459 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445986193 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327822884 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.202082027403553 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.201715135785782 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542625903 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361327558 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638067985 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.201412270781086 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596018 (0.0017462% change) linmin: converged after 5 iterations. iteration 12: trace = 0.201407854918079 (0.000446278% change) linmin: converged after 6 iterations. iteration 13: trace = 0.2014061973776714 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838685205 (0.000652171% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2014047218137743 (8.04622e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010267232 (1.0321e-05% change) linmin: converged after 10 iterations. iteration 17: trace = 0.2014046853811603 (7.76822e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2014046607647889 (1.22223e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2014046519844074 (4.35957e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.2014046509573761 (5.09934e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2014046507828246 (8.66671e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.2014046504702381 (1.55203e-07% change) linmin: converged after 23 iterations. iteration 23: trace = 0.2014046502171116 (1.25681e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 0.2014046501748726 (2.09722e-08% change) linmin: converged after 5 iterations. iteration 25: trace = 0.2014046501695844 (2.62563e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671027 (1.2322e-09% change) large trace change predicted (2.54447e-09%) linmin: converged after 3 iterations. iteration 27: trace = 0.2014046501619776 (2.54468e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 0.2014046501601663 (8.99362e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 0.2014046501599482 (1.08277e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.2014046501599139 (1.70195e-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: 0.02093648910522461 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853591828 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030618 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.18790199871624 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599348 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411784 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1879007301109862 (1.24012e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1879007300208394 (4.79757e-08% change) linmin: converged after 10 iterations. iteration 8: trace = 0.1879007300174002 (1.83034e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1879007300173179 (4.37972e-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: 0.006578683853149414 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1770906204474063 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153287 (0.125996% change) linmin: converged after 7 iterations. iteration 3: trace = 0.1768576072264842 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062105 (0.000233816% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1768571846110665 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1768571842635601 (1.9649e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1768571842571171 (3.64308e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1768571842568873 (1.29929e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568804 (3.89206e-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: 0.006570339202880859 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.1703028333697394 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 7 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1701630438206583 (2.22018e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.170163043679694 (8.28407e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771918 (1.47048e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.170163043677122 (4.10389e-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: 0.005939006805419922 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 12 iterations. iteration 1: trace = 0.1680722256068122 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333379 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758052 (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 = 0.1679542017770084 (6.13653e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1679542017749326 (1.23589e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1679542017748687 (3.80752e-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: 0.005884885787963867 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 3 iterations. iteration 3: trace = 0.1727422906716332 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693744 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677769 (2.65469e-10% change) linmin: converged after 7 iterations. iteration 8: trace = 0.1727422479677606 (9.4799e-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: 0.00590825080871582 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524434 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889474 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738663 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047327 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937455 (1.35004e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1859937688390201 (2.94232e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1859937688378912 (6.06957e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1859937688378515 (2.13546e-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: 0.005889177322387695 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2043988572787782 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.204152398606743 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985799 (0.00495265% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2041420414998281 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330262 (8.17087e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2041420413291277 (1.90968e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289721 (7.62339e-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: 0.005899190902709961 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2213300955570233 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738398 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831468 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306989 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069988 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2207583579120761 (2.24192e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2207583578975027 (6.60152e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2207583578967376 (3.46608e-10% change) linmin: converged after 10 iterations. iteration 9: trace = 0.2207583578967242 (6.07268e-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: 0.0065953731536865234 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851748 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226157 (0.0182006% change) linmin: converged after 27 iterations. iteration 4: trace = 0.2277123246169001 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063245 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171634 (4.34391e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.227712284386013 (1.36797e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2277122843842668 (7.66851e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842423 (1.07628e-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: 0.00660395622253418 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987324 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086003 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707288 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223291 (0.939334% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2194887472932664 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573111 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027368 (0.000487029% change) linmin: converged after 6 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 = 0.219462503425283 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685687 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509946 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026467 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005201 (9.68993e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.2194624955004414 (3.58291e-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: 0.011944770812988281 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097951 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713609 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2042021396248774 (4.90396e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2042021396245607 (1.5506e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245496 (5.47766e-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: 0.006546735763549805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193465 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392235 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592609 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.195931385437536 (1.32376e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1959313854311253 (3.2719e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1959313854307274 (2.03069e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1959313854307183 (4.6606e-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: 0.006665468215942383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.2014853855724194 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.200826490458242 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2007749944565631 (0.00194292% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2007748543968736 (6.97596e-05% change) linmin: converged after 10 iterations. iteration 6: trace = 0.2007748486133251 (2.88061e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2007748484344858 (8.90745e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2007748484304169 (2.02659e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2007748484302037 (1.06225e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2007748484301816 (1.10041e-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: 0.0072383880615234375 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.212271872422257 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500305 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.209103051136514 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542952 (0.00880656% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2090836304333474 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433783 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2090835123374099 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673798 (3.34939e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2090835122583803 (4.30427e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2090835122572215 (5.54199e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2090835122571491 (3.46474e-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: 0.004395723342895508 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: 0.3512008353051186 at Vector3<0.5, 0.0, 0.0> to 0.45725652118970406 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051186), 34.04404255716301% total elapsed time for run: 0.1220400333404541 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: 0.00313568115234375 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 = 0.4343181010737089 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702048 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884289067 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223015 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623867 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348156 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352653 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371998 (0.000154151% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.132652931151726 (1.97846e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529297895759 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923197 (7.33163e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.1326529296662334 (1.96651e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 0.1326529296624069 (2.88463e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621596 (1.86428e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.132652929662027 (9.98886e-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: 0.006208896636962891 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 11 iterations. iteration 1: trace = 0.1330276952346249 (5.99259% change) linmin: converged after 8 iterations. iteration 2: trace = 0.1318813366941741 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680470611522 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.1283043076693207 (1.9784% change) linmin: converged after 7 iterations. iteration 5: trace = 0.1276263881514101 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322441906659 (0.0737925% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021779811495 (0.0235782% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865983072 (0.0476116% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300394876 (0.0231165% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849426799 (0.00207604% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1274090082757263 (0.000295636% change) linmin: converged after 5 iterations. iteration 12: trace = 0.1274085198438121 (0.000383358% change) linmin: converged after 7 iterations. iteration 13: trace = 0.1274080628431409 (0.00035869% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683522 (6.55962e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.127407972649671 (5.19487e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 0.1274079698067393 (2.23136e-06% change) linmin: converged after 10 iterations. iteration 17: trace = 0.1274079642222816 (4.38313e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 0.1274079624506605 (1.39051e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 0.127407962318001 (1.04122e-07% change) linmin: converged after 12 iterations. iteration 20: trace = 0.1274079622924901 (2.0023e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440731 (3.80016e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155674 (2.23736e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 0.1274079622132353 (1.8304e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 0.1274079622129696 (2.08568e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 0.1274079622125834 (3.03092e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 0.1274079622122154 (2.88867e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.1274079622121576 (4.53777e-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: 0.018703460693359375 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.1175895698986491 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382447 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343665 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919831 (0.000884162% change) linmin: converged after 18 iterations. iteration 5: trace = 0.1169623892439102 (3.38126e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324883 (6.70182e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1169623869302093 (1.94853e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1169623869301464 (5.37374e-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: 0.00660252571105957 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773469 (0.162675% change) linmin: converged after 14 iterations. iteration 3: trace = 0.1074797532363017 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025652 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996318 (1.88811e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1074794489927401 (6.41209e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925576 (1.69755e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1074794489925547 (2.76318e-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: 0.006589412689208984 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501611 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944226 (0.0693375% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1013402349806175 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.10134013022109 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880726 (2.00613e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.101340128149123 (3.84345e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.1013401281478894 (1.21724e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1013401281478577 (3.12914e-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: 0.005895137786865234 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312486 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066024 (0.0479956% change) linmin: converged after 4 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840854 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232145 (1.04396e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.09924540235031679 (2.2172e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.09924540234966146 (6.60306e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965093 (1.06133e-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: 0.005869150161743164 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355369 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1023448300984101 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 13 iterations. iteration 4: trace = 0.1023441118540879 (1.96731e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1023441112170788 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108161 (6.11927e-09% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1023441112106434 (1.68726e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (1.99331e-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: 0.005905866622924805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369511 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294543 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.111100542881741 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965006 (4.86814e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1111004875283865 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048889 (2.11499e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1111004875044869 (3.61845e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1111004875044771 (8.78132e-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: 0.00595855712890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.123843480305704 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1236552618867515 (0.000136866% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1236552585512284 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722955 (6.3833e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710225 (1.02948e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1236552584709828 (3.20865e-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: 0.0059032440185546875 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1365861283694173 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956019 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314291 (0.010099% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1360211293759798 (0.000391303% change) linmin: converged after 14 iterations. iteration 5: trace = 0.1360211177483543 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989074 (3.30424e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1360211172754741 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00543e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1360211172747792 (1.03251e-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: 0.006548166275024414 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1427907515851957 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.141612958861779 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679498 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943141 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602424 (1.95716e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.141582724820537 (9.8674e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187982 (1.2281e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1415827248187513 (3.30912e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.006519794464111328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1391285125980509 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816251 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281963 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038857 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136610321787667 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1366070298222957 (0.000652942% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.13660698538731 (1.14889e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 4 iterations. iteration 14: trace = 0.1366069809219636 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728978 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486564 (1.77453e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 0.1366069801469441 (1.25349e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 0.1366069801444113 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394008 (3.6678e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 0.1366069801387248 (4.94881e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 0.1366069801387 (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: 0.014589071273803711 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.128847733021203 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719538 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.128304489820598 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.128304477920252 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1283044775566786 (5.08907e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1283044775564043 (2.13838e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1283044775563506 (4.18158e-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: 0.006545305252075195 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990571 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431222 (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 22 iterations. iteration 5: trace = 0.1250652868137378 (4.03248e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1250652866511764 (1.29981e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1250652866473551 (3.05545e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1250652866471704 (1.47671e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1250652866471588 (9.25443e-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: 0.0066051483154296875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.1294353344754181 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499605 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499469 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1287431529997967 (6.38636e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 0.1287431505713929 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20548e-08% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1287431504623988 (2.60522e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1287431504622695 (1.00486e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.128743150462253 (1.28275e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.007240772247314453 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524528138642 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957022297221 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867051782 (0.321575% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108557059 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168394093 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658379 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514654886 (9.80027e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455151906 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.132652945276194 (1.80167e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452645753 (8.7587e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529452609718 (2.71645e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 0.1326529452608375 (1.0129e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452607797 (4.35626e-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: 0.004853487014770508 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: 0.259996144374749 at Vector3<0.5, 0.0, 0.0> to 0.36421552034582483 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.259996144374749), 17.288741164655285% total elapsed time for run: 0.1240379810333252 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: 0.0019550323486328125 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 = 0.6549253906200138 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744974 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641904 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576728 (0.38369% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2983048314779292 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176777 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982560426838609 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263997 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543166 (0.000652859% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2982519775108617 (0.000106502% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2982519598579503 (5.91879e-06% change) linmin: converged after 7 iterations. iteration 13: trace = 0.2982519583456511 (5.07054e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2982519560571792 (7.67295e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2982519551981029 (2.88037e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 0.2982519551550085 (1.4449e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 0.2982519551524451 (8.59454e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507781 (5.58923e-10% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2982519551491576 (5.43345e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.298251955149003 (5.18349e-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: 0.007187604904174805 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315372632 (4.81134% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2810412199539113 (5.39544% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2797075559501532 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730432 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771753 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270256 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509232 (0.000408587% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512746065 (1.63156e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 0.2795911392192312 (4.31179e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2795911380567327 (4.15785e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2795911379221728 (4.81274e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.2795911378697243 (1.8759e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2795911378501722 (6.9931e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 0.2795911378480389 (7.63005e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2795911378478663 (6.17472e-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: 0.01130223274230957 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041990066 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588440746 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243485 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419115 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623714 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520098 (1.37421e-08% change) linmin: converged after 13 iterations. iteration 9: trace = 0.2611842409471599 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470009 (6.08917e-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: 0.00722503662109375 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349513 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963267 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373556 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901633 (1.23835e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2490993774714977 (3.68795e-07% change) linmin: converged after 11 iterations. iteration 7: trace = 0.2490993774413394 (1.2107e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.249099377440048 (5.18432e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2490993774400129 (1.40728e-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: 0.006609201431274414 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615226 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2424595800284269 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2424457235513502 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2424457144963569 (8.82256e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2424457144901443 (2.56249e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2424457144899839 (6.6136e-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: 0.005881547927856445 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2406037838644208 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598918 (0.104331% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2403446058300955 (0.00344729% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2403442785818101 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085169 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382663 (7.08361e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2403442724330159 (2.18451e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2403442724329469 (2.8709e-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: 0.005888938903808594 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659823 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195067 (0.0200724% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 6 iterations. iteration 4: trace = 0.24781357054074 (1.23644e-05% change) linmin: converged after 27 iterations. iteration 5: trace = 0.2478135698495609 (2.78911e-07% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2478135698281649 (8.63391e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278219 (2.71044e-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: 0.005881786346435547 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126677 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237146 (0.0579625% change) linmin: converged after 4 iterations. iteration 3: trace = 0.268792301045691 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479114 (4.25971e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2687921840087607 (2.1897e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2687921840070876 (6.22453e-10% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2687921840070467 (1.52206e-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: 0.005897045135498047 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313886 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.298422799348811 (0.147789% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2984110530872357 (0.00393619% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2984106728909143 (0.000127407% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2984106619110481 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038376 (2.4163e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036125 (7.54322e-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: 0.005860567092895508 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914541 (3.57107% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3268031317976837 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855295 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363584 (2.90471e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3267691033112137 (7.69497e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.326769103310265 (2.90323e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102513 (4.19601e-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: 0.00654911994934082 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631009 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179798 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905778 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3391342077573692 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700709 (2.8569e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3391341089176964 (5.75694e-07% change) linmin: converged after 22 iterations. iteration 7: trace = 0.3391341088659965 (1.52447e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.339134108863466 (7.46191e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633687 (2.86776e-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: 0.006556987762451172 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035444042 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3288522176426144 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791076 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799811 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393166 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095879 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3215240569133013 (0.000600605% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3215211961989127 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.321519889057808 (0.00040655% change) linmin: converged after 4 iterations. iteration 10: trace = 0.321519787915397 (3.14576e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.3215197847617468 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.321519784167951 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.3215197830625633 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.3215197827855522 (8.61568e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 0.3215197827696911 (4.93316e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 0.3215197827690932 (1.85964e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 0.3215197827688706 (6.92163e-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: 0.011896371841430664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423043 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.290166929739764 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895051 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380558 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217771 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741391 (1.54879e-08% change) linmin: converged after 7 iterations. iteration 8: trace = 0.290121401372425 (5.90793e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2901214013723646 (2.08175e-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: 0.006541252136230469 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778221 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369416 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2708628403276492 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.27086079023786 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884344 (2.29821e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.270860725890675 (2.75237e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2708607258855506 (1.8919e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2708607258851877 (1.33972e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2708607258851711 (6.14831e-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: 0.007204532623291016 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2757278837077463 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122132 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2750947620429819 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.275094379162971 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465173 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2750943677818919 (1.68897e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2750943677030442 (2.8662e-08% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2750943676888278 (5.16785e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881247 (2.55587e-10% change) linmin: converged after 16 iterations. iteration 11: trace = 0.2750943676881145 (3.71293e-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: 0.007914066314697266 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.306350718499681 (2.00508% change) linmin: converged after 6 iterations. iteration 2: trace = 0.3031319400186665 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147803 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994931 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.298256612760008 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041396 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344613 (0.000546439% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2982519600533237 (2.37655e-05% change) linmin: converged after 11 iterations. iteration 10: trace = 0.2982519569354709 (1.04538e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519563685659 (1.90076e-07% change) linmin: converged after 22 iterations. iteration 12: trace = 0.2982519553645569 (3.36631e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.298251955160012 (6.85813e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2982519551499692 (3.36722e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2982519551494979 (1.57999e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 0.2982519551492236 (9.19627e-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: 0.005771636962890625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2854038105785692 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4241150516194396 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610305 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2854038105785692) to band 2 (0.4241150516194396), 39.10008554562137% total elapsed time for run: 0.11643314361572266 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: 0.0020923614501953125 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 = 0.3200046970003612 (93.9081% change) linmin: converged after 7 iterations. iteration 3: trace = 0.3068086580978412 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122452 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486453 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560045 (0.00556691% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3025960087856283 (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 = 0.3025956971360174 (5.87299e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421132 (5.9107e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 0.3025956959407097 (4.63798e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.02162e-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: 0.005174160003662109 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3046948505447676 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975246 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602787 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3009297211602801 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658466 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077822 (8.57557e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.300929717702047 (1.90582e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3009297177018308 (7.18309e-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: 0.007295370101928711 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931763 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861195 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.296964775850513 (0.0709335% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822385 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2969598361844072 (7.47345e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.296959836181938 (8.31509e-10% change) linmin: converged after 6 iterations. iteration 10: trace = 0.2969598361818405 (3.28439e-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: 0.007277727127075195 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 14 iterations. iteration 1: trace = 0.2938435215784365 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839091614 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733897 (0.033302% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2926449733559792 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.292644919356301 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.2926449176893366 (5.6962e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2926449175856863 (3.54185e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2926449175810236 (1.5933e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2926449175807108 (1.0687e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2926449175807001 (3.66097e-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: 0.007239341735839844 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109322 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297272 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299022 (0.0103097% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2895144114344811 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165007 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258293 (1.3494e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2895143959126514 (4.55173e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2895143959121472 (1.74137e-10% change) linmin: converged after 16 iterations. iteration 9: trace = 0.2895143959121309 (5.63712e-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: 0.006540060043334961 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2888034002621678 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650512 (0.140753% change) linmin: converged after 6 iterations. iteration 3: trace = 0.288389096794288 (0.00280505% change) linmin: converged after 12 iterations. iteration 4: trace = 0.2883886834700359 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569949 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783871 (6.1933e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2883886767738498 (1.57333e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70445e-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: 0.005931377410888672 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194343 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003748 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163035 (0.000612919% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2982086207857144 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260263 (3.55351e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2982086196950981 (1.03713e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.298208619694368 (2.44823e-10% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982086196943481 (6.68274e-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: 0.005863189697265625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016576 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.326504443083612 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168626 (0.00195487% change) linmin: converged after 8 iterations. iteration 4: trace = 0.3264979266586153 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973252 (1.12138e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3264979228246054 (5.29007e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.3264979228224311 (6.65968e-10% change) linmin: converged after 6 iterations. iteration 8: trace = 0.3264979228223411 (2.75432e-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: 0.0058956146240234375 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 = 0.3690894962296903 (0.121043% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3690670482003564 (0.00608219% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3690664377461898 (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 = 0.3690664173327326 (1.78105e-07% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3690664173183379 (3.9003e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.369066417318032 (8.28757e-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: 0.005887031555175781 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601694 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169418 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073976 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743091 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643571 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759099 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425279 (3.20981e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.415544799921621 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210299 (1.42229e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210048 (6.05147e-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: 0.0072443485260009766 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353657 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000975 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759411 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628919 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781179 (2.42936e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 22 iterations. iteration 8: trace = 0.4398182199097651 (2.14614e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 0.4398182199058916 (8.80708e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.4398182199057509 (3.19952e-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: 0.007250308990478516 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940101337 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.415406115889726 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339534971 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492258 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480539 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470214 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070207 (0.000379162% change) linmin: converged after 5 iterations. iteration 8: trace = 0.4024756354882406 (4.69392e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.4024755044224093 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634773 (1.53696e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.4024754386798514 (9.64935e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 0.4024754384625265 (5.3997e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 0.402475438448178 (3.56507e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 0.4024754384464012 (4.41468e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 0.4024754384452948 (2.74897e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447269 (1.4111e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446907 (8.99267e-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: 0.011987447738647461 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271053 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916965 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265372 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771723 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042095 (1.6875e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.34769191871431 (4.45008e-08% change) linmin: converged after 12 iterations. iteration 8: trace = 0.3476919187046032 (2.7918e-09% change) linmin: converged after 5 iterations. iteration 9: trace = 0.3476919187043949 (5.9919e-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: 0.006542205810546875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3136744626788427 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681965 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943585 (0.000937848% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3124701893749389 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944268 (1.04986e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3124701859365775 (5.05166e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3124701859237745 (4.09738e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233404 (1.38907e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3124701859233177 (7.26599e-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: 0.007188320159912109 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253173291 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553397 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741595 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917268 (0.00276941% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3014386435309355 (5.65822e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3014386380615984 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123756 (8.26778e-08% change) linmin: converged after 22 iterations. iteration 8: trace = 0.3014386377980787 (4.74289e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3014386377957535 (7.71385e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3014386377955973 (5.1821e-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: 0.00725102424621582 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3082775823540613 (5.57215% change) linmin: converged after 6 iterations. iteration 2: trace = 0.3031076120438383 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3025961722516381 (0.000727346% change) linmin: converged after 5 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 12 iterations. iteration 8: trace = 0.3025956961202266 (4.78415e-07% change) linmin: converged after 22 iterations. iteration 9: trace = 0.3025956959692824 (4.98831e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3025956959418706 (9.05887e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407163 (3.81484e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959406537 (2.06748e-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: 0.004410505294799805 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3174441229723216 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996916 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819292 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.3174441229723216) to band 2 (0.4615121898996916), 36.99002486960811% total elapsed time for run: 0.11140847206115723 done /tmp/meepWcFBDI/test_maximize_first_tm_gap-0: 0.47s /tmp/meepWcFBDI/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: 0.0023779869079589844 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2022085189819336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6312425136566162 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13793516159057617 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12756013870239258 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14838480949401855 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.21184444427490234 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17300820350646973 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14715027809143066 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12694406509399414 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12164783477783203 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12130260467529297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09608101844787598 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11149215698242188 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1522207260131836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17830109596252441 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3661777973175049 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0568695068359375 done Fixing e-field (band 8) phase by 2.59056e-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: 0.002229452133178711 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20088529586791992 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6240873336791992 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13692283630371094 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12628960609436035 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1466388702392578 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2077476978302002 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17211389541625977 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14704060554504395 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12651968002319336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12165617942810059 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.19520282745361328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09775900840759277 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1112673282623291 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15192627906799316 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1772472858428955 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.35817623138427734 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.104734420776367 done Fixing e-field (band 8) phase by 2.59056e-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/meepWcFBDI/test_multiply_bloch_in_mpb_data-0: 6.22s /tmp/meepWcFBDI/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: 0.0023374557495117188 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20325803756713867 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6256599426269531 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.1371300220489502 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12686395645141602 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1475238800048828 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20902585983276367 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1731879711151123 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14734196662902832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1265089511871338 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12115192413330078 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1206669807434082 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.17601561546325684 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11141705513000488 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15192413330078125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17752885818481445 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.35813260078430176 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.116659641265869 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 ./tmp/meepWcFBDI/test_multiply_bloch_phase-0: 3.13s /tmp/meepWcFBDI/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: 0.0023517608642578125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2020862102508545 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.628671407699585 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13696026802062988 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12631845474243164 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14776825904846191 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20991301536560059 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1721179485321045 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1467888355255127 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1264951229095459 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12127280235290527 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1209261417388916 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09569287300109863 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11116981506347656 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15181970596313477 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1776113510131836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.39795708656311035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.076873779296875 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepWcFBDI/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepWcFBDI/test_output_charge_density-0: 3.09s /tmp/meepWcFBDI/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: 0.002318143844604492 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20708346366882324 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, 0.5527092320102549, 0.8567435000049454 Outputting fields to /tmp/meepWcFBDI/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.773226559306942, 0.528826055798308 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480434, 0.528807965492253 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798069568 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688415, 0.40124649301794324 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258772, 0.40125199105706494 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.0928209317476276, 0.2872056682629078 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6834754943847656 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272574, 0.04603176935253569 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.5511376869744287, 0.8445541870067746 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586406, 0.44273961220656266 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144935, 0.5367491123383459 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409544, 0.3120181983526976 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940224, 0.3891333929287355 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968429, 0.2776208838686308 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633557, 0.6676492385749634 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13689160346984863 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640264, 0.05442207263324207 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776, 0.7942737936868477 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676545, 0.30077174113524896 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553609, 0.5586605740279951 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076895, 0.5941655354229811 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364992, 0.35472339075619563 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587055, 0.21322445873353102 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343296, 0.6232654986378606 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1346728801727295 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574754, 0.07189021129173066 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.5281755808897282, 0.6596795148952811 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253021334 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.7833774318115928, 0.5880663066182279 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828639, 0.7295588531314178 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.0151520304252974, 0.30554099772859905 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.038431473487911, 0.24673894341019673 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656086, 0.5396650770145653 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.15337824821472168 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452605, 0.10384524472152631 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.49073844761783225, 0.43567395440885803 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809143, 0.44814251235011704 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426083, 0.6139011766784037 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942657, 0.7699338908293224 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.02442946087849, 0.2578911955387675 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.064407666628535, 0.3322131409111861 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155034, 0.4329317403870483 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.22376084327697754 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.41279067126554697, 0.08603997803833881 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497226764, 0.35844848963250775 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450844, 0.5328473160554128 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481016, 0.6242704495863787 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695824234, 0.7771263179128075 D-energy-components:, 6, 6, 0.742735, 0.257265, 0 dpwr:, 6, 1.0291597050648278, 0.23681359323009032 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.0860729323744873, 0.578242859970713 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635115244, 0.37950821057221074 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17247653007507324 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237788, 0.08405292710461983 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.4457807037097995, 0.37490215643841357 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378526, 0.5082270951388099 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820219, 0.6251503053156323 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.842943492238678, 0.7355775644685928 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182518, 0.18697859696303312 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.050175581717453, 0.4077764066045546 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294412, 0.6404816832228786 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14667057991027832 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547157, 0.08020083733719262 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.45743397685749854, 0.42543224667955387 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475784, 0.4380647996880885 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094463, 0.6230094255510318 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.826100668242209, 0.5373015422325982 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.9279448597924168, 0.3526636498469477 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255514, 0.42073899378587015 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.1087925543150023, 0.727971767226787 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.22993874549865723 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612197, 0.5125827722132725 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465533, 0.07946478028056798 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468704, 0.32881162370410794 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238184, 0.22327322644238262 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502165, 0.6095695047980255 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663705, 0.6540286383398094 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130636, 0.46189058607377903 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214069, 0.7615498171574907 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12871623039245605 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298962, 0.6285469371615329 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598192, 0.09034995963035065 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207212, 0.19597806182919142 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.719610675513729, 0.08289042691566494 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258336, 0.5777971969564083 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777036, 0.777298614918443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709646, 0.5159863025112301 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575364003, 0.7756611032714624 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12990713119506836 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489877, 0.6986360262353928 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160889, 0.11965861786804013 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.1195421830817688 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757019, 0.026633379719868774 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604549, 0.2997497622839392 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.8819770916660683, 0.8023568424744713 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421857, 0.8023816357258052 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.111917370755693, 0.7797381408707397 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.18605279922485352 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434175, 0.4184573101767129 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335813, 0.3658958857187422 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356566, 0.12560615204416214 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476281, 0.11295231544465811 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317923, 0.5738505598029356 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.882253939189316, 0.7904020720510012 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990102, 0.48184989547392115 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958843, 0.7706100828379302 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1162421703338623 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.372434676912902, 0.12237408338023685 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392894, 0.6769327341003589 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214435, 0.15055644500839807 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677093, 0.556241164984312 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.8258043934212944, 0.24643500245619399 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160477, 0.7471141728510821 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.0102032173309063, 0.38074698876104945 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.1072514719865543, 0.723618303253108 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15192198753356934 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.25208809622874284, 0.065372229886201 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.542887135720842, 0.7760897792782854 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.698081067031497, 0.22096216698465623 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516232, 0.554918109145116 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.888482610263672, 0.6405660798703694 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405553, 0.31622629536242997 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.0788413408293993, 0.46522856194286977 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.090385645879671, 0.5462861488963793 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.18003344535827637 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.04795279770419718 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904053, 0.835061478072527 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615937, 0.3870295603730498 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874297, 0.5369475337133536 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928066, 0.3906213130819549 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351244, 0.36404230319542524 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.0419064972740375, 0.32291084533059783 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1000367447866697, 0.6489227096905341 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3563354015350342 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, 0.552709232010199, 0.8567434642231009 Outputting fields to /tmp/meepWcFBDI/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, 0.5288260828553547 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685694999 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195855878, 0.08910054416510177 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882853, 0.4012466293259351 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032257053, 0.4012520176859731 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478446, 0.28720537908599075 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.484938621520996 done /tmp/meepWcFBDI/test_output_dpwr_in_objects-0: 3.49s /tmp/meepWcFBDI/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: 0.0023636817932128906 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 = 5.483795574359498 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215211 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611948 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956216816 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099367 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537614 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.38267397992093 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151566 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064873175 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652775129 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327480603 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119498 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479061 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660402 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090859 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190658 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266458 (1.03784e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 4.373722547638335 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.37372198661683 (1.28271e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721450686151 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632524 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.37372118025341 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520021 (1.76815e-07% change) linmin: converged after 21 iterations. iteration 26: trace = 4.373721170365176 (4.9268e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530111 (1.90928e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.373721169259855 (6.17908e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186878 (1.66852e-09% change) linmin: converged after 15 iterations. iteration 30: trace = 4.373721169145514 (9.45745e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.373721169066987 (1.79544e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966432 (2.29907e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 4.373721168940539 (5.92015e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933666 (1.57137e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.373721168927986 (1.29864e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 4.373721168920071 (1.80957e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904352 (3.59396e-10% change) large trace change predicted (9.95374e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.37372116886083 (9.95091e-10% change) large trace change predicted (4.53482e-09%) linmin: converged after 19 iterations. iteration 39: trace = 4.373721168662469 (4.5353e-09% change) large trace change predicted (2.06992e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757164 (2.06987e-08% change) large trace change predicted (8.1261e-08%) linmin: converged after 6 iterations. iteration 41: trace = 4.373721164203094 (8.12596e-08% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721158304369 (1.34867e-07% change) linmin: converged after 20 iterations. iteration 43: trace = 4.373721154431687 (8.85443e-08% change) linmin: converged after 8 iterations. iteration 44: trace = 4.373721151269279 (7.23047e-08% change) large trace change predicted (2.03266e-07%) linmin: converged after 7 iterations. iteration 45: trace = 4.373721142379016 (2.03265e-07% change) large trace change predicted (4.92733e-07%) linmin: converged after 10 iterations. iteration 46: trace = 4.373721120831641 (4.92655e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077936541 (9.80746e-07% change) large trace change predicted (2.05475e-06%) linmin: converged after 7 iterations. iteration 48: trace = 4.373720988618654 (2.04215e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903717062 (1.94118e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867155414 (8.35939e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.373720856040819 (2.54122e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 4.373720853585386 (5.61406e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.373720853005511 (1.32582e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852587126 (9.56589e-09% change) linmin: converged after 7 iterations. iteration 55: trace = 4.373720851987721 (1.37047e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851521266 (1.0665e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245714 (6.30015e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 4.373720851095381 (3.43719e-09% change) linmin: converged after 2 iterations. iteration 59: trace = 4.373720851044165 (1.17099e-09% change) linmin: converged after 18 iterations. iteration 60: trace = 4.373720851034565 (2.195e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032935 (3.72636e-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: 0.2429189682006836 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909595601321 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652891778 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141955256 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732193326105 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.2915006533538 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042415182448 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808983023 (0.00325349% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119555777 (0.000715223% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227463466 (0.000207233% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496393169 (8.69539e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035161878 (3.40545e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.290857390257354 (1.50297e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285471207 (2.44208e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.29085727195194 (3.15071e-07% change) linmin: converged after 26 iterations. iteration 15: trace = 4.290857267542521 (1.02763e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.290857264554781 (6.96304e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.290857263489023 (2.48379e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 4.290857263236215 (5.89177e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156947 (1.84737e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115615 (9.63243e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096219 (4.52053e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085614 (2.4715e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.290857263081674 (9.18222e-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: 0.13457989692687988 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007797761 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336667296 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.20851974078749 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881260581 (0.00375102% change) linmin: converged after 4 iterations. iteration 5: trace = 4.208319555170553 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621544 (0.000236877% change) linmin: converged after 11 iterations. iteration 7: trace = 4.208308119593186 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.20830796949315 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636429 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537228 (2.35728e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520757 (3.91378e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.208307958519126 (3.87705e-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: 0.07020974159240723 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019178374 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029541 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750737 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631739 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388961 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.150444119567918 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167715 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934405 (2.97151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35374e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.150444015829237 (1.80163e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828809 (1.03146e-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: 0.07006144523620605 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 5 iterations. iteration 5: trace = 4.11960953614573 (0.000635753% change) linmin: converged after 6 iterations. iteration 6: trace = 4.119601717815909 (0.000189783% change) linmin: converged after 6 iterations. iteration 7: trace = 4.119598937494708 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308935 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539521 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763429 (4.31132e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629697 (3.24624e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.119598598621692 (1.07152e-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: 0.07022905349731445 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 = 4.112183070107522 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166957 (0.0241823% change) linmin: converged after 6 iterations. iteration 4: trace = 4.110889360751756 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964518 (0.00200253% change) linmin: converged after 6 iterations. iteration 6: trace = 4.110783674084837 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.11077773280195 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787366 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125226 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910482 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738067 (4.19422e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727875 (2.4793e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725125 (6.68925e-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: 0.07025980949401855 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 = 4.099504340254173 (0.00301572% change) linmin: converged after 6 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388634 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449425 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039662 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533705 (3.67352e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.099489964290494 (5.93271e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275824 (3.5785e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.0994899642748 (2.49804e-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: 0.07312512397766113 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 = 4.080119303675822 (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 = 4.07945294624548 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.079452904344981 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879315 (2.76545e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.079452895806833 (1.77677e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.079452895803482 (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: 0.06008291244506836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550775 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.06941588323134 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148267 (0.0131018% change) linmin: converged after 4 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591243 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.068759373276539 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.068759276129624 (2.36825e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.06506681442260742 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891641 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235416 (0.0765676% change) linmin: converged after 4 iterations. iteration 3: trace = 4.076189573111654 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758917 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324657 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563657 (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 = 4.075526949795471 (1.83798e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.075526949476023 (7.83819e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61736e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350735 (4.56802e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.07552694934967 (2.61298e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.07509922981262207 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815201 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589704 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.09224178066441 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.092150666963199 (1.44301e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.092150601221073 (1.60654e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.092150512656764 (2.16425e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.092150442817855 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447522 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678674 (1.87883e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621986 (1.38529e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618252 (9.12672e-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: 0.08119010925292969 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.12649607749576 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341022309 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566110902 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416670072 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154657072 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139221822 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969291992 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279933 (0.000102332% change) linmin: converged after 4 iterations. iteration 9: trace = 4.046652402979382 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576779 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574178 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410182 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788301 (4.00796e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.046652183683064 (2.60059e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677343 (1.4137e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.046652183676487 (2.11583e-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: 0.0957188606262207 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395016 (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 5 iterations. iteration 5: trace = 4.044514961032809 (0.000246226% change) linmin: converged after 6 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709432 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601185 (4.22999e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.044513236602915 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418499 (4.55966e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398145 (5.03259e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.044513236396849 (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: 0.06928706169128418 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.11886725584012 (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 = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 10 iterations. iteration 10: trace = 4.113415259769442 (3.22782e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.113415259756539 (3.13692e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.113415259755491 (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: 0.06515693664550781 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177002 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668813 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052034 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995956 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311715 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287405 (0.000331073% change) linmin: converged after 6 iterations. iteration 7: trace = 4.240750094772399 (7.15561e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.24074964734326 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492667 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080625 (9.71625e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.240749642034734 (1.08215e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.240749642029142 (1.31863e-10% change) linmin: converged after 11 iterations. iteration 14: trace = 4.240749642028247 (2.11115e-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: 0.07584524154663086 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681709215 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022135265 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409946446 (0.0965848% change) linmin: converged after 4 iterations. iteration 4: trace = 4.384518225136 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892389786 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369246647 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906470233 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817310197 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315399441 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837575 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003604 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.373725631015406 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248078 (4.38475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373722607982317 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078837 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618416 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772769 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011846 (3.19547e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750854233 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706727 (1.63419e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956164 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85456e-09% change) linmin: converged after 21 iterations. iteration 24: trace = 4.373721741513577 (3.26468e-09% change) linmin: converged after 15 iterations. iteration 25: trace = 4.3737217414665 (1.07634e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 4.373721741452126 (3.28651e-10% change) linmin: converged after 13 iterations. iteration 27: trace = 4.373721741432792 (4.42046e-10% change) large trace change predicted (8.95071e-10%) linmin: converged after 4 iterations. iteration 28: trace = 4.373721741393646 (8.95038e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.373721741340034 (1.22576e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 4.373721741314156 (5.91669e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.373721741304116 (2.29572e-10% change) large trace change predicted (8.84879e-10%) linmin: converged after 8 iterations. iteration 32: trace = 4.37372174126541 (8.84965e-10% change) large trace change predicted (1.78905e-09%) linmin: converged after 12 iterations. iteration 33: trace = 4.373721741187167 (1.78894e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721741036669 (3.44095e-09% change) large trace change predicted (3.16551e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652172 (3.16549e-08% change) large trace change predicted (1.81444e-07%) linmin: converged after 25 iterations. iteration 36: trace = 4.373721731717061 (1.81427e-07% change) large trace change predicted (7.42845e-07%) linmin: converged after 7 iterations. iteration 37: trace = 4.37372169925952 (7.42103e-07% change) large trace change predicted (1.8118e-06%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721620576607 (1.79899e-06% change) large trace change predicted (3.98481e-06%) linmin: converged after 8 iterations. iteration 39: trace = 4.373721449984724 (3.90038e-06% change) linmin: converged after 14 iterations. iteration 40: trace = 4.373721352060034 (2.23893e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 4.373721289879797 (1.42168e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721193450281 (2.20475e-06% change) linmin: converged after 6 iterations. iteration 43: trace = 4.37372112335879 (1.60256e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.373721026063254 (2.22455e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919613542 (2.43385e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871356329 (1.10334e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373720860408507 (2.50309e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 4.373720857859519 (5.82796e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720856571284 (2.9454e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.373720854520619 (4.6886e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.373720852664143 (4.24461e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 4.373720851890903 (1.76792e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.373720851693617 (4.51073e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644915 (1.1135e-09% change) linmin: converged after 7 iterations. iteration 55: trace = 4.373720851632565 (2.82371e-10% change) linmin: converged after 9 iterations. iteration 56: trace = 4.373720851620734 (2.70491e-10% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851605054 (3.58523e-10% change) linmin: converged after 6 iterations. iteration 58: trace = 4.373720851598515 (1.49501e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 4.373720851594641 (8.85798e-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: 0.2302851676940918 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537405 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466357 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370319 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654609 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977237 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542514 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068664 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571238 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251523 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463828 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811317 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064022 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294798 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452598 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537405) to band 2 (0.41711424932466357), 39.0126539564388% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068664), 3.8380005049245294% total elapsed time for run: 1.552497386932373 done Fixing e-field (band 8) phase by 2.54672e-08 + -1i; max ampl. = 1.49941 .Outputting fields to /tmp/meepWcFBDI/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepWcFBDI/test_output_efield_z-0: 1.74s /tmp/meepWcFBDI/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: 0.0023925304412841797 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.21361708641052246 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6277210712432861 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13815736770629883 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1276247501373291 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14922738075256348 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.21072149276733398 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17333459854125977 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14991426467895508 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12717175483703613 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12224364280700684 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12156987190246582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09638428688049316 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11202192306518555 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15279221534729004 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1785118579864502 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3580920696258545 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0625216960906982 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepWcFBDI/test_output_field_to_file-0-epsilon.h5... /tmp/meepWcFBDI/test_output_field_to_file-0: 3.36s /tmp/meepWcFBDI/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: 0.0024259090423583984 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.21518445014953613 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6336019039154053 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.14357566833496094 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12847042083740234 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1485133171081543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2105565071105957 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17482638359069824 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14850449562072754 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12830543518066406 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12333989143371582 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12251901626586914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09847450256347656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11386871337890625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.32866883277893066 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17879486083984375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.35946011543273926 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.2602732181549072 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepWcFBDI/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/meepWcFBDI/test_output_tot_pwr-0: 3.27s /tmp/meepWcFBDI/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: 0.031253814697265625 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 = 0.9773582023559193 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987867 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2757707805418628 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964678 (6.69816% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2538047517632811 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2525216664485048 (0.506821% change) linmin: converged after 9 iterations. iteration 7: trace = 0.2513324422133869 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2505245456180644 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741422239 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642293211 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.250336469661756 (0.00111632% change) linmin: converged after 6 iterations. iteration 12: trace = 0.2503356979333163 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329616 (0.00025366% change) linmin: converged after 5 iterations. iteration 14: trace = 0.2503346861323263 (0.000150519% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2503342765388563 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 4 iterations. iteration 16: trace = 0.2503325842642063 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 6 iterations. iteration 17: trace = 0.2503200648279447 (0.00500125% change) linmin: converged after 6 iterations. iteration 18: trace = 0.25030385929173 (0.00647414% change) linmin: converged after 4 iterations. iteration 19: trace = 0.250297802083458 (0.00241997% change) linmin: converged after 6 iterations. iteration 20: trace = 0.2502965572165682 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.2502958707162206 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722029 (0.000123512% change) linmin: converged after 4 iterations. iteration 23: trace = 0.2502955228253092 (1.54805e-05% change) linmin: converged after 7 iterations. iteration 24: trace = 0.250295517685587 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624724 (2.48952e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776111 (1.14409e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 0.2502955164556014 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302457 (9.00359e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423121 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746208 (7.06242e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582654 (1.92427e-06% change) linmin: converged after 5 iterations. iteration 32: trace = 0.2502955074678404 (7.15324e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 0.2502955071409541 (1.306e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 0.2502955070820947 (2.35159e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 0.2502955070452399 (1.47245e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2502955070312218 (5.60063e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2502955070289611 (9.03187e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287136 (9.88928e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077229912656 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.708824459154378 (118.359% change) linmin: converged after 11 iterations. iteration 3: trace = 0.5830461771289798 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441113906107 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912954791641 (1.72596% change) linmin: converged after 5 iterations. iteration 6: trace = 0.5549770055866449 (0.935157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797529308 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756395687 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785658792 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847142269 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402705977 (0.0131694% change) linmin: converged after 6 iterations. iteration 12: trace = 0.5523162607160427 (0.0041786% change) linmin: converged after 4 iterations. iteration 13: trace = 0.5523079347089864 (0.00150748% change) linmin: converged after 5 iterations. iteration 14: trace = 0.552305304576979 (0.000476209% change) linmin: converged after 6 iterations. iteration 15: trace = 0.5523046348502541 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040258 (2.55197e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.5523044363705104 (1.0417e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.5523044197503862 (3.00923e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.5523044169605079 (5.05134e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.5523044161634471 (1.44315e-07% change) linmin: converged after 24 iterations. iteration 21: trace = 0.5523044158163484 (6.28455e-08% change) linmin: converged after 12 iterations. iteration 22: trace = 0.5523044156915471 (2.25965e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 0.5523044156387962 (9.55106e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 0.5523044156091682 (5.36443e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.5523044156002935 (1.60685e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 0.5523044155970446 (5.88255e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956038 (2.60859e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.5523044155953758 (4.12888e-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 = 5.040666553127957 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.78473693840472 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414365182 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532079996121 (5.51805% change) linmin: converged after 6 iterations. iteration 5: trace = 1.405219437464429 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989231817 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982262 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.372681951318565 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061158 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318245 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231272 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.36962780410275 (0.0174174% change) linmin: converged after 5 iterations. iteration 13: trace = 1.36939108819999 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.36916993642292 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718418 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.368967099915851 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763116961 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102027 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217039 (0.00251427% change) linmin: converged after 4 iterations. iteration 20: trace = 1.368816057044476 (0.00227137% change) linmin: converged after 4 iterations. iteration 21: trace = 1.368795335803233 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116284504 (0.000892725% change) linmin: converged after 5 iterations. iteration 23: trace = 1.368774313877876 (0.000643085% change) linmin: converged after 4 iterations. iteration 24: trace = 1.3687670271691 (0.000532354% change) linmin: converged after 6 iterations. iteration 25: trace = 1.368760736434447 (0.000459592% change) linmin: converged after 4 iterations. iteration 26: trace = 1.36875553041599 (0.000380346% change) linmin: converged after 4 iterations. iteration 27: trace = 1.368752119510738 (0.000249198% change) linmin: converged after 6 iterations. iteration 28: trace = 1.368749700078285 (0.000176762% change) linmin: converged after 7 iterations. iteration 29: trace = 1.368747854834094 (0.000134812% change) linmin: converged after 5 iterations. iteration 30: trace = 1.36874624152169 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675244 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365726 (5.09452e-05% change) linmin: converged after 6 iterations. iteration 33: trace = 1.368744106172926 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.368743978090463 (9.35766e-06% change) linmin: converged after 13 iterations. iteration 35: trace = 1.368743922574288 (4.05599e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 1.368743896765343 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092292 (9.25889e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 1.36874387767446 (4.68885e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564881 (3.00245e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515113 (2.22815e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 1.368743865625267 (3.57251e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077554 (6.97553e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.368743837482 (1.35859e-06% change) linmin: converged after 21 iterations. iteration 44: trace = 1.368743804106838 (2.43838e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762213935 (3.06068e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718470691 (3.19587e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 1.36874366711875 (3.75176e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 1.368743567915004 (7.2478e-06% change) linmin: converged after 4 iterations. iteration 49: trace = 1.368743413516454 (1.12803e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.368743170394474 (1.77624e-05% change) linmin: converged after 9 iterations. iteration 51: trace = 1.368742909661779 (1.90491e-05% change) linmin: converged after 16 iterations. iteration 52: trace = 1.368742678112893 (1.69169e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.368742429387164 (1.81718e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.368741979834979 (3.28442e-05% change) large trace change predicted (7.7457e-05%) linmin: converged after 6 iterations. iteration 55: trace = 1.368740938942661 (7.60474e-05% change) linmin: converged after 7 iterations. iteration 56: trace = 1.368739090124345 (0.000135074% change) linmin: converged after 5 iterations. iteration 57: trace = 1.368737089037939 (0.000146199% change) linmin: converged after 6 iterations. iteration 58: trace = 1.368735675248458 (0.000103292% change) linmin: converged after 5 iterations. iteration 59: trace = 1.368734891447562 (5.72646e-05% change) linmin: converged after 10 iterations. iteration 60: trace = 1.368734383088577 (3.71408e-05% change) linmin: converged after 9 iterations. iteration 61: trace = 1.36873386982212 (3.74994e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 1.368733229794995 (4.67605e-05% change) linmin: converged after 9 iterations. iteration 63: trace = 1.368732612904155 (4.50702e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103644968 (3.72066e-05% change) linmin: converged after 7 iterations. iteration 65: trace = 1.36873178438357 (2.33253e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.368731593580356 (1.39401e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 1.368731481662163 (8.17678e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406768255 (5.47178e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 1.368731346626492 (4.39398e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326400927 (1.47769e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305815829 (1.50395e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292688562 (9.59083e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 1.368731274194278 (1.3512e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.368731246837127 (1.99872e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222077576 (1.80894e-06% change) linmin: converged after 6 iterations. iteration 76: trace = 1.368731209365427 (9.28754e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.36873120498022 (3.20385e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 1.368731202164477 (2.05719e-07% change) linmin: converged after 4 iterations. iteration 79: trace = 1.3687311995453 (1.91358e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196863303 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121828 (1.27233e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194395126 (5.30931e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038626 (2.6046e-08% change) linmin: converged after 2 iterations. iteration 84: trace = 1.368731193798817 (1.75206e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193445018 (2.58487e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939486 (3.69344e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.36873119244544 (3.60952e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 1.368731191973575 (3.44746e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 1.368731191459466 (3.7561e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.368731190769674 (5.03965e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492791 (9.32895e-08% change) linmin: converged after 2 iterations. iteration 92: trace = 1.368731187985154 (1.10149e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 1.368731186085579 (1.38784e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 1.368731183021023 (2.23898e-07% change) linmin: converged after 16 iterations. iteration 95: trace = 1.368731177615786 (3.94909e-07% change) large trace change predicted (9.62808e-07%) linmin: converged after 4 iterations. iteration 96: trace = 1.368731164438237 (9.62757e-07% change) large trace change predicted (1.97333e-06%) linmin: converged after 7 iterations. iteration 97: trace = 1.368731137431429 (1.97313e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113427603 (1.75373e-06% change) linmin: converged after 6 iterations. iteration 99: trace = 1.368731088517674 (1.81993e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 1.368731069137746 (1.4159e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 1.36873105882657 (7.53338e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 1.36873105323048 (4.08852e-07% change) linmin: converged after 12 iterations. iteration 103: trace = 1.36873105063303 (1.89771e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719115 (6.6771e-08% change) linmin: converged after 5 iterations. iteration 105: trace = 1.368731049381032 (2.47004e-08% change) linmin: converged after 24 iterations. iteration 106: trace = 1.368731049212426 (1.23184e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 1.368731049112457 (7.30375e-09% change) linmin: converged after 4 iterations. iteration 108: trace = 1.36873104904163 (5.17469e-09% change) linmin: converged after 21 iterations. iteration 109: trace = 1.368731048989894 (3.77986e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 1.368731048949551 (2.94745e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 1.368731048927738 (1.5937e-09% change) linmin: converged after 9 iterations. iteration 112: trace = 1.368731048915436 (8.98735e-10% change) linmin: converged after 2 iterations. iteration 113: trace = 1.368731048898775 (1.21727e-09% change) linmin: converged after 12 iterations. iteration 114: trace = 1.368731048867243 (2.30373e-09% change) large trace change predicted (6.6313e-09%) linmin: converged after 2 iterations. iteration 115: trace = 1.368731048776471 (6.63182e-09% change) large trace change predicted (2.53791e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429106 (2.53787e-08% change) large trace change predicted (6.62441e-08%) linmin: converged after 11 iterations. iteration 117: trace = 1.368731047522387 (6.62452e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910927 (1.17734e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 1.368731044213379 (1.24024e-07% change) linmin: converged after 6 iterations. iteration 120: trace = 1.368731043117404 (8.00723e-08% change) linmin: converged after 15 iterations. iteration 121: trace = 1.368731041988219 (8.24986e-08% change) large trace change predicted (1.9589e-07%) linmin: converged after 8 iterations. iteration 122: trace = 1.36873103930706 (1.95887e-07% change) large trace change predicted (5.72019e-07%) linmin: converged after 6 iterations. iteration 123: trace = 1.368731031479908 (5.71855e-07% change) large trace change predicted (1.36874e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012759109 (1.36775e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990302735 (1.64067e-06% change) linmin: converged after 5 iterations. iteration 126: trace = 1.368730976215942 (1.02919e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969481682 (4.92008e-07% change) linmin: converged after 6 iterations. iteration 128: trace = 1.368730962774645 (4.90019e-07% change) large trace change predicted (1.03714e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948566827 (1.03803e-06% change) large trace change predicted (2.0931e-06%) linmin: converged after 7 iterations. iteration 130: trace = 1.368730919831761 (2.09939e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 1.368730881993598 (2.76447e-06% change) linmin: converged after 7 iterations. iteration 132: trace = 1.368730851162252 (2.25255e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836423413 (1.07683e-06% change) linmin: converged after 5 iterations. iteration 134: trace = 1.368730830651503 (4.21698e-07% change) linmin: converged after 7 iterations. iteration 135: trace = 1.368730827013192 (2.65816e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824117719 (2.11544e-07% change) linmin: converged after 4 iterations. iteration 137: trace = 1.368730822420771 (1.2398e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821972038 (3.27847e-08% change) linmin: converged after 4 iterations. iteration 139: trace = 1.368730821796169 (1.2849e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 1.368730821733531 (4.57635e-09% change) linmin: converged after 4 iterations. iteration 141: trace = 1.368730821659555 (5.40469e-09% change) linmin: converged after 4 iterations. iteration 142: trace = 1.368730821514497 (1.0598e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.368730821270377 (1.78355e-08% change) linmin: converged after 3 iterations. iteration 144: trace = 1.368730820982542 (2.10293e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820765342 (1.58687e-08% change) linmin: converged after 4 iterations. iteration 146: trace = 1.368730820648516 (8.53534e-09% change) linmin: converged after 2 iterations. iteration 147: trace = 1.368730820558569 (6.57156e-09% change) linmin: converged after 3 iterations. iteration 148: trace = 1.36873082042307 (9.89962e-09% change) linmin: converged after 3 iterations. iteration 149: trace = 1.368730820258909 (1.19937e-08% change) linmin: converged after 3 iterations. iteration 150: trace = 1.368730820119255 (1.02032e-08% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730819994225 (9.13471e-09% change) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819767856 (1.65386e-08% change) large trace change predicted (3.4655e-08%) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819293541 (3.46536e-08% change) linmin: converged after 7 iterations. iteration 154: trace = 1.368730818429214 (6.31481e-08% change) linmin: converged after 4 iterations. iteration 155: trace = 1.368730817023545 (1.02699e-07% change) linmin: converged after 2 iterations. iteration 156: trace = 1.368730815597047 (1.0422e-07% change) linmin: converged after 2 iterations. iteration 157: trace = 1.368730814056647 (1.12542e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811419986 (1.92635e-07% change) linmin: converged after 4 iterations. iteration 159: trace = 1.368730806703748 (3.4457e-07% change) linmin: converged after 5 iterations. iteration 160: trace = 1.368730801400175 (3.87481e-07% change) linmin: converged after 5 iterations. iteration 161: trace = 1.36873079730878 (2.98919e-07% change) linmin: converged after 4 iterations. iteration 162: trace = 1.368730794291223 (2.20464e-07% change) linmin: converged after 3 iterations. iteration 163: trace = 1.368730792263132 (1.48173e-07% change) linmin: converged after 6 iterations. iteration 164: trace = 1.368730790415527 (1.34987e-07% change) linmin: converged after 7 iterations. iteration 165: trace = 1.368730788779743 (1.19511e-07% change) linmin: converged after 6 iterations. iteration 166: trace = 1.368730787468813 (9.57771e-08% change) linmin: converged after 5 iterations. iteration 167: trace = 1.368730786540578 (6.78171e-08% change) linmin: converged after 4 iterations. iteration 168: trace = 1.368730785967683 (4.1856e-08% change) linmin: converged after 4 iterations. iteration 169: trace = 1.368730785677234 (2.12203e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.36873078552678 (1.09923e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785465072 (4.50841e-09% change) linmin: converged after 4 iterations. iteration 172: trace = 1.368730785439924 (1.83727e-09% change) linmin: converged after 7 iterations. iteration 173: trace = 1.368730785430383 (6.97137e-10% change) linmin: converged after 7 iterations. iteration 174: trace = 1.368730785427265 (2.27734e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426327 (6.85408e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106256164919 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364037716464 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772420863349 (16.673% change) linmin: converged after 5 iterations. iteration 4: trace = 2.264181962667017 (5.14594% change) linmin: converged after 5 iterations. iteration 5: trace = 2.205266208257679 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248770614255 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760401693728 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774152669984 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.163580434090318 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739083746319 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702211627447 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362915338237 (0.0769505% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174709215511 (0.0551431% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097720814709 (0.0500079% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356418624965 (0.0344355% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804501085258 (0.0256458% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338215695851 (0.0216719% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061656310978 (0.0128561% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823284925751 (0.0110822% change) linmin: converged after 5 iterations. iteration 20: trace = 2.150656546595819 (0.0077526% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247619104 (0.00508225% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111037018 (0.00312189% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447076367467 (0.00153617% change) linmin: converged after 4 iterations. iteration 24: trace = 2.150426790744198 (0.000943326% change) linmin: converged after 4 iterations. iteration 25: trace = 2.15041552634019 (0.000523823% change) linmin: converged after 9 iterations. iteration 26: trace = 2.150409797132228 (0.000266424% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405287881374 (0.000209693% change) linmin: converged after 5 iterations. iteration 28: trace = 2.150402139491915 (0.000146409% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399520801995 (0.000121777% change) linmin: converged after 5 iterations. iteration 30: trace = 2.150396648779604 (0.000133558% change) linmin: converged after 10 iterations. iteration 31: trace = 2.150393098124796 (0.000165116% change) linmin: converged after 5 iterations. iteration 32: trace = 2.150387653688935 (0.000253184% change) linmin: converged after 6 iterations. iteration 33: trace = 2.150380790268435 (0.000319172% change) linmin: converged after 6 iterations. iteration 34: trace = 2.15037377858942 (0.000326067% change) linmin: converged after 5 iterations. iteration 35: trace = 2.150366763559317 (0.000326224% change) linmin: converged after 6 iterations. iteration 36: trace = 2.150359396169761 (0.000342611% change) linmin: converged after 8 iterations. iteration 37: trace = 2.150351902955955 (0.000348464% change) linmin: converged after 6 iterations. iteration 38: trace = 2.150343144039101 (0.000407326% change) linmin: converged after 16 iterations. iteration 39: trace = 2.150335244142703 (0.000367379% change) linmin: converged after 8 iterations. iteration 40: trace = 2.150328827979942 (0.00029838% change) linmin: converged after 4 iterations. iteration 41: trace = 2.150323123295871 (0.000265294% change) linmin: converged after 3 iterations. iteration 42: trace = 2.150319840776957 (0.000152652% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369655036 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485719215 (8.7612e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 2.150314485087249 (4.65342e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850316809 (2.95199e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 2.150313567743773 (1.3141e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387249 (7.68988e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592676 (5.19899e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 2.150313233310086 (2.66392e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 2.150313205103926 (1.31172e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 2.150313191063454 (6.5295e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 2.150313183156103 (3.6773e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 2.15031317800627 (2.39492e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.150313174684328 (1.54486e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.150313172986874 (7.89399e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 2.150313171840354 (5.33188e-08% change) linmin: converged after 2 iterations. iteration 58: trace = 2.150313171039239 (3.72557e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618984 (1.95439e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 2.150313170310529 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.150313170079359 (1.07505e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169877264 (9.39837e-09% change) linmin: converged after 2 iterations. iteration 63: trace = 2.150313169681612 (9.09879e-09% change) linmin: converged after 2 iterations. iteration 64: trace = 2.150313169527385 (7.17232e-09% change) linmin: converged after 3 iterations. iteration 65: trace = 2.150313169349638 (8.26606e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 2.15031316916475 (8.59819e-09% change) linmin: converged after 3 iterations. iteration 67: trace = 2.150313168971829 (8.97179e-09% change) linmin: converged after 3 iterations. iteration 68: trace = 2.150313168727004 (1.13856e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 2.150313168488299 (1.11009e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 2.150313168384114 (4.84511e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168200266 (8.54985e-09% change) linmin: converged after 2 iterations. iteration 72: trace = 2.150313168067919 (6.15478e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167955455 (5.23013e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167849299 (4.93677e-09% change) linmin: converged after 2 iterations. iteration 75: trace = 2.15031316777531 (3.44084e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167691349 (3.90461e-09% change) linmin: converged after 3 iterations. iteration 77: trace = 2.150313167607143 (3.91597e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537666 (3.23101e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167462262 (3.50668e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 2.1503131673922 (3.25821e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167303152 (4.14114e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174898 (5.96447e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 2.150313167057679 (5.45124e-09% change) linmin: converged after 3 iterations. iteration 84: trace = 2.150313166920155 (6.39554e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166761316 (7.38675e-09% change) linmin: converged after 2 iterations. iteration 86: trace = 2.150313166660694 (4.67942e-09% change) linmin: converged after 2 iterations. iteration 87: trace = 2.150313166582558 (3.63371e-09% change) linmin: converged after 8 iterations. iteration 88: trace = 2.150313166516407 (3.07633e-09% change) linmin: converged after 2 iterations. iteration 89: trace = 2.150313166476073 (1.87575e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 2.150313166453608 (1.04474e-09% change) linmin: converged after 2 iterations. iteration 91: trace = 2.150313166442874 (4.99187e-10% change) linmin: converged after 2 iterations. iteration 92: trace = 2.150313166436854 (2.79942e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 2.150313166432529 (2.01153e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.15031316643042 (9.80778e-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 9 iterations. iteration 1: trace = 8.545615309304498 (191.103% change) linmin: converged after 8 iterations. iteration 2: trace = 3.2611770418916 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.735430549595281 (17.5348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.599623157889801 (5.09113% change) linmin: converged after 5 iterations. iteration 5: trace = 2.527777757140432 (2.80241% change) linmin: converged after 5 iterations. iteration 6: trace = 2.486971964146437 (1.62743% change) linmin: converged after 7 iterations. iteration 7: trace = 2.468814617959523 (0.732774% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529982931881 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010586079983 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192943086 (0.20652% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000268541686 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801968687894 (0.0900241% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651930892228 (0.0471283% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794402768583 (0.0351558% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022834407628 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.437314234809963 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427455141897 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606082311717 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080536461087 (0.0215799% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730915097294 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515498052678 (0.00884807% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390163246701 (0.00514838% change) linmin: converged after 4 iterations. iteration 23: trace = 2.43428994712346 (0.00411677% change) linmin: converged after 4 iterations. iteration 24: trace = 2.434215170309519 (0.00307186% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151150825508 (0.00263002% change) linmin: converged after 4 iterations. iteration 26: trace = 2.434099389801162 (0.00212647% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521605469 (0.00122708% change) linmin: converged after 6 iterations. iteration 28: trace = 2.434051894772923 (0.000724174% change) linmin: converged after 4 iterations. iteration 29: trace = 2.434040921049004 (0.000450843% change) linmin: converged after 4 iterations. iteration 30: trace = 2.43403487238868 (0.000248503% change) linmin: converged after 4 iterations. iteration 31: trace = 2.434031134693265 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967759126 (8.90266e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725414137 (5.10407e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886603042 (3.44619e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138706848 (3.07267e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.43402545095537 (2.82557e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 2.434024951064275 (2.05376e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674079337 (1.13797e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 2.434024546243635 (5.25203e-06% change) linmin: converged after 12 iterations. iteration 40: trace = 2.434024472714476 (3.02089e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 2.434024422648012 (2.05694e-06% change) linmin: converged after 2 iterations. iteration 42: trace = 2.434024388302761 (1.41105e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248398 (1.02934e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054645 (7.47476e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.43402433436412 (4.39212e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 2.434024326949201 (3.04636e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899884 (2.48531e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216978 (1.51309e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167436 (8.42039e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139088 (4.22489e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590414 (2.25418e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235238 (1.45922e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.43402431297215 (1.08088e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.4340243127201 (1.03553e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512639 (8.5234e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381701 (5.37946e-09% change) linmin: converged after 2 iterations. iteration 57: trace = 2.434024312305533 (3.1293e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 2.434024312262787 (1.75621e-09% change) linmin: converged after 3 iterations. iteration 59: trace = 2.434024312237416 (1.04232e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222981 (5.93074e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 2.434024312214695 (3.40398e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 2.43402431220838 (2.59445e-10% change) linmin: converged after 2 iterations. iteration 63: trace = 2.434024312203912 (1.83582e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 2.434024312200642 (1.34338e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 2.434024312198263 (9.7757e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 36.755298376083374 total elapsed time for run: 36.78668522834778 done Fixing e-field (band 25) phase by -0.24413 + -0.969742i; max ampl. = 0.816569 Outputting fields to /tmp/meepWcFBDI/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.78381e-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: 0.019650936126708984 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 = 0.01396094212364523 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995286 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457991 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086750375 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626922391 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179250372 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587046552 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074291178935 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132155601248 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130035934423 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074081914389 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651731768469 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327278854268 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.00698284607986084 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117070774116 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744042158401 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992986742828 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800001567883 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187539307178 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.00543757816110876 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994948860623 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329230751008 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389223030681 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565548594594 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783456145288 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164723983278 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836564255871 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194881611606 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126408539573 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039547645293 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940875618692 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900202306394 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051983292218 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730322394778 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677841727052 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458763586805 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426022274393 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940780742732 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00215948275352026 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811874115498 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048307715773 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320504037609 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707940475518 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.00177545054447966 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503967730159 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689302376654 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618496906 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.00149777845752863 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456498480352 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847868367 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207647430859 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178866889 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986364768867 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486944638105 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.00110011237605512 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.00107729285509216 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332549318428 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132369817984 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.000989370113977302 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884185374721 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574414913808 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544686855225 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113294114454 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191101358 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477211196705 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297860644 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415214379 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535150666 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232465181621 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171879000926 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040516364847 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704115623452 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027019442983 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658400485329 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272323894714 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356682288144 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395882273436 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602133580448 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389682009524 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305343889306 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074250486477 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008047627887 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919431893836 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297280417 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730076907 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775606240442 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886198802723 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788062819 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024990109 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218260783 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658760605395 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438061277877 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306124345514 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846283662 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102352015 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000417414648313975 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654092667 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516748887 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439095182 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361572207 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047599105 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673416849 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157700207269 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929041574 (0.00601853% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.00041476283632177 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394188849496 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939430164 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269855981 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394959852322 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526559492 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725854355 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990277501 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401226257 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000414125788410954 (0.000519578% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987683259 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374083411 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493548044 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758604969 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443968094 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451048651 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345190054 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704030317 (0.00078849% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655581574 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371878132 (0.000101075% change) large trace change predicted (0.00089331%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390523905 (0.000893394% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541956676 (0.000576137% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539600287 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273131684 (3.05958e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810795412 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232543105 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983429029 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263364434 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212291272 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694252092 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391451193 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056160579 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420207 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207778876 (8.49526e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055338985 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681093958 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431679087 (6.02559e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.000413925543717626 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461016 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792128589 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867593897 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543861 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850288 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451394 (5.17966e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248159472 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.000413924069334268 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619613 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114741 (2.88712e-06% change) large trace change predicted (2.76652e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376986257 (2.76652e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388847 (1.43649e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952728 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093053 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.000413923628461121 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766183 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391841 (6.1302e-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: 0.766284704208374 total elapsed time for run: 0.7860107421875 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: 0.016468048095703125 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 = 0.01396094212364523 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995286 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250457991 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086750375 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.01100301626922391 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179250372 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.01015314587046552 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074291178935 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132155601248 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130035934423 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074081914389 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651731768469 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007444327278854268 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.00698284607986084 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117070774116 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744042158401 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992986742828 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800001567883 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187539307178 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.00543757816110876 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994948860623 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329230751008 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389223030681 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565548594594 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783456145288 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164723983278 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836564255871 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194881611606 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126408539573 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039547645293 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940875618692 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900202306394 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051983292218 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730322394778 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677841727052 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458763586805 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426022274393 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940780742732 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00215948275352026 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.002034811874115498 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048307715773 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001858320504037609 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707940475518 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.00177545054447966 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503967730159 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689302376654 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618496906 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.00149777845752863 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456498480352 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847868367 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207647430859 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00123039178866889 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986364768867 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001152486944638105 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.00110011237605512 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.00107729285509216 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332549318428 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132369817984 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.000989370113977302 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884185374721 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.0008747574414913808 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544686855225 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113294114454 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380191101358 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477211196705 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627297860644 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0007672194415214379 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535150666 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232465181621 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000720171879000926 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040516364847 (5.44409% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704115623452 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027019442983 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658400485329 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272323894714 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356682288144 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395882273436 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602133580448 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389682009524 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305343889306 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074250486477 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008047627887 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.0004357919431893836 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.0004324623297280417 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730076907 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775606240442 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886198802723 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.0004234535788062819 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426024990109 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004217579218260783 (0.351403% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658760605395 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438061277877 (0.267029% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306124345514 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953846283662 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102352015 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.000417414648313975 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654092667 (0.118318% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953516748887 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835439095182 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361572207 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047599105 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861673416849 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.0004150157700207269 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907929041574 (0.00601853% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.00041476283632177 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394188849496 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939430164 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269855981 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394959852322 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526559492 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.0004143003725854355 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990277501 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401226257 (0.0408869% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000414125788410954 (0.000519578% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987683259 (0.00468218% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004141042374083411 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493548044 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758604969 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443968094 (0.00913784% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873451048651 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345190054 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689704030317 (0.00078849% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.000413944655581574 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371878132 (0.000101075% change) large trace change predicted (0.00089331%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390523905 (0.000893394% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541956676 (0.000576137% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539600287 (0.000748964% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273131684 (3.05958e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810795412 (0.000511318% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232543105 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983429029 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263364434 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212291272 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694252092 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391451193 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056160579 (0.00022553% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559420207 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207778876 (8.49526e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0004139261055338985 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681093958 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431679087 (6.02559e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.000413925543717626 (7.2344e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894461016 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792128589 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867593897 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182543861 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850288 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240451394 (5.17966e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248159472 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.000413924069334268 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619613 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.0004139239522114741 (2.88712e-06% change) large trace change predicted (2.76652e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376986257 (2.76652e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388847 (1.43649e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952728 (2.22369e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093053 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.000413923628461121 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190766183 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391841 (6.1302e-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: 0.7750911712646484 total elapsed time for run: 0.7916266918182373 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: 0.016757965087890625 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 = 0.01397041285606431 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111981 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223081 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769827854 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084982379 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362043521 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099167944 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181402142 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549249745559 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950456042638 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259876330879 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286456012691 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245654854726 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080389843248 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.00755110118908058 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928038062 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705119526542 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078385383689 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985027771 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.006815255177540679 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667863759764 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070462634887 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365666411489 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920413398338 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.005770458876996043 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242845737305 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514765122952 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855607774 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369573426 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.004775022746098741 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932746210043 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286248992073 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634267783365 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785234943325 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716277921665 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935267618 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.004276526815395707 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311241385 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00421267287820074 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839441665 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172269607 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00388725823038586 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.00387759563120813 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509119254 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743758881852 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770538235 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030282686321 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192150923 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141923037 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314304981761 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267781815159 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.00354477293071398 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163458635 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018581531 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304309041 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076426397 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750444451 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791847736 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118612207 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826670973 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405363756 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.00321663708847772 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.003163328888866197 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524262978 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735019710888 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908287867118 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611528531 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980075237 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183142509 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645553762937 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913523191 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.002929305667550953 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581706386 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582967393255 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.00270151692717177 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059246404238 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663922656 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.002633953154963444 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.00263270314986731 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908498367 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951095193 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.00254671962362883 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931325917133 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650572132 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307082891078 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.00252545451832878 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.00251924669114177 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308559635 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250555171 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998798831 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797564957 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225673084 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010832855 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897549283 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003644988 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511870977793 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456936127 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082462532613 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.002329261438710633 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946626273 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897090927577 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845138205761 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150135146935 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759493119 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129126613679 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786147553518 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927071851372 (0.328759% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496294936872 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753063314962 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571455936457 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.002031622907409108 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428308509719 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407689886505 (0.25079% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360216408879 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823705254798 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095651561511 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076232199786 (0.154006% change) large trace change predicted (0.748968%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712256719383 (0.89028% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375453527007 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556289482001 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029902679346 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201761076154 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499555109217 (0.404878% change) linmin: converged after 3 iterations. iteration 124: trace = 0.00189655744402569 (0.10235% change) large trace change predicted (0.277059%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002120186054 (0.293346% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212215010506 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456090922983 (0.30743% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923185971401 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513858575301 (0.236334% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142198507949 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375850907249 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037513260395 (0.0723932% change) large trace change predicted (0.207881%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026887490998 (0.217257% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311612838989 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761467243528 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871783232694 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312036492623 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.00182423592386219 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681784836623 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340976674437 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877063748945 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.00181249950075935 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454518947843 (0.0576708% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735964456641 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129296836 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730814567 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790219262 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061877903 (0.00332214% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044871168 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554122131615 (0.00606269% change) large trace change predicted (0.033986%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941682017245 (0.0340955% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193320741 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946475982 (0.00101623% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.00179529107852087 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452234639 (0.00281999% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987863766 (0.000750007% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693738584 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107871926 (3.26357e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665879929 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309719837 (0.000465485% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965314077 (0.000315105% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316395168 (0.000408701% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761177652 (8.66353e-05% change) large trace change predicted (0.000263288%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034811409 (0.000263288% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368140796 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265515504 (5.7169e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.001795117964380282 (0.000128188% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608906746 (7.55089e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627835878 (1.84137e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978636078 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633480929 (1.92275e-05% change) large trace change predicted (0.000217275%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733047255 (0.000217281% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024743638 (9.51643e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.001795107713859493 (1.73184e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475575537 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189112863 (1.5958e-05% change) large trace change predicted (4.80654e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.001795106326173752 (4.80717e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.00179510530116278 (5.71003e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.001795105257127202 (2.45309e-06% change) large trace change predicted (6.13334e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156148604 (6.13323e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906896277 (1.38851e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753579008 (8.54086e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903847 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166253512 (2.87729e-06% change) large trace change predicted (3.00399e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068096 (3.00365e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523466374 (5.77135e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608297 (4.93458e-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: 0.9038629531860352 total elapsed time for run: 0.9206840991973877 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: 0.016923904418945312 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 = 0.01314818569009815 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578981743 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430623014433 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107118473 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075410933 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508092998832 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558876589966 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466956316872 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222376144981 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584234051779 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287718677844 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156566965 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665997750371 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684171734 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.00537234444566365 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493894497003 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140158894183 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706663929 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734138884 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104432933 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513961906 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514949753176 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282940204475 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376781865983 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.00316719165524435 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294775192329 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002614089198886792 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888611411416 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356976475 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133140699 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.002337966296970931 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522257010916 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759018988823 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452306062459 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957223070108 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153069496842 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037324759788 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311180532493 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763497324 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377403608 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00162070196570192 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001559215157538441 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.00151299977671778 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787466095 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473672145 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496094621357 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.00135763797373363 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948327205674 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853999286 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.001304998593920089 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234361096214 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00126687029375022 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655055133544 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.001256779863561014 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453871248573 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860885316 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735209065077 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296236204872 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359956787 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409488000169 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286466476 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.00113361768883796 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118836978 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418359535 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492082222351 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130540274 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902438025 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857643047837 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579235647 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041141311 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301967301 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706056913 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061293489 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488253597 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724621288 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831562052 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532918037 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941424352 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000993205948197784 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956332441 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472249392 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028171666 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271971559 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568464222 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457064667 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446372702 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.0009816542877327931 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600150518 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096679889 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662465641 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342160627 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746218721118 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448547123 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231588434 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907668943 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.0009747603385360173 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131727268 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646613362 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0009739030577257013 (0.0143646% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114856387 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547110842149 (0.00192062% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.0009733419668097688 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524758697949 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974918128 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422978477356 (0.00987775% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0009727738508656568 (0.00703602% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318513109 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609083809 (0.00203256% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.000972652788100507 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459000814634 (0.000708171% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782554194 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550550081 (0.000434211% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210451925 (0.00448636% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477185426116 (0.00229318% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993830359 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398575789 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314140881 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0009724858987441448 (0.000651182% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150441 (0.000317941% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886829 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760807 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967812446 (0.000487664% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722729894 (8.4785e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173195 (9.97415e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963276136 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170983042 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630291098 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832585 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.000972465101034399 (6.45215e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.00097246462478072 (4.89739e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509326851 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443929 (6.30758e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331288177 (5.187e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776682 (6.86044e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155292423 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040399 (3.69426e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322678498 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561411 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673350508 (3.41619e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585878 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114408 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426332791 (7.79278e-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: 0.703493595123291 total elapsed time for run: 0.7204830646514893 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: 0.01685190200805664 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 = 0.01396244070951999 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514249 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238581 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355322 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955187 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01008942352510295 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413979398 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371254358 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00845857389196506 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764845351 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851802985 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006731675902070084 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014650004496 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00569315294403927 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126219862 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286217018 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313945584 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857944819 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.00422460398350102 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288246193 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182204376 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500165992 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.0029343362829967 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173311416 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567287464 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244818208 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035596907 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953501058 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00179157118852601 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133728754 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116209987 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949305889 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252325965 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418591355 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430407451 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459253513 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343192379 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477422886 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240519916 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679087177 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208483186 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884370351 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032389111 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031129448 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826437549 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255433496 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945747719 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.000746112516343021 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357505149 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183584441 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687889674 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936508692 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203055859 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544479299 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561796534 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158655546 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309598 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898554658 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421330926 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312940445 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000562775909523423 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.000548835774541488 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646095172 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954738324 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140728666 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221310371 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688566183 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000518223212731685 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000516207268021907 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907344142 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368380042 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162769309 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955585684 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830391605 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305163534 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630959954 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004610867968616967 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611181934 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354514687 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394415 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000451263624607125 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945101183 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789180818 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710496284 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327813043 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.000447025723968677 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575625 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248479631 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551907576 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746362511 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319927 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589959638 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856065295 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.000444765726054274 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0004447267673636698 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986462865 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0004442455806052475 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303659 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905879091 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500845 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000443739165198407 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655703 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975644654 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249404 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010891574 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.00044352661215854 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515595015 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167326 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0004434714731020812 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229788 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.000443425205577242 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132309 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0004434136924363286 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981872155 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.000443406080308413 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000443403586405476 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779856 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834604 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989797275 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004433937107530732 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0004433925552247509 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380078026 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351569704 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271466035 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293369 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280591 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268651482 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490726068 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573387 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476794 (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: 0.6249010562896729 total elapsed time for run: 0.6418190002441406 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: 0.016828298568725586 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 = 0.01396317243285669 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313921802708362 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205553211 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607492948 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101589837044348 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309326301 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971077276499 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717280221628 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.00846623331348142 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511329316122 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999189464623 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592947711995 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163382357 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005961549769368176 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245561771 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611891746 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994044917884 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00463389835017726 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702634721699 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708240772 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469695801 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922490286 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003040239886136394 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177932208 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324693672 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.002665163221217064 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002263716107337744 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509121211 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002140776398960802 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936072046 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147047067 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060683047138 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993321052 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.00174290424251052 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603641485412 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001490518358344898 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863322598 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511515970932 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643606811984 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867280126 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836855175 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302635869 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275688013 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727045567 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0011221700582739 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699025496 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372096871 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259077918 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819911333224 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.000985593245188139 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.000974719876306198 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762290161595 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068768623838 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620733714113 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277466588 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740520532952 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0008851577234209867 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930714639097 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145287616 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710079964363 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283020140289 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961553876264 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256094747493 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513414039 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375661507454 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.0008104570891752133 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029148904 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007990641591558619 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272522065 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.00079419096539989 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265284175 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069293817 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868580511 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994743088524 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045845003 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899939792 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023539894 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406324088 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875018198 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846883637 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296074915 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404422214 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071704769 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769585532 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716354298 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832196953 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.0007107523356495323 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747960293 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344343605 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.00070897015158411 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024921248 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993803273 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538428612 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.000707207407553387 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437309791 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274691843 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.000706311836302046 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184945048 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.000706095099610715 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330940399 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454630008 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581192198 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514746287 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475521937 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369609624 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182104775 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329035974754 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515590528 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743515447 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838128157 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.0007054238644736238 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849902 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589595213 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952447666 (0.000608778% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001434873 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786220454 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353964907 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385872 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082369612 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742080979641 (0.000113435% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.000705369158607528 (0.000715862% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136328 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218516 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919394783 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997223 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494768 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367703 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.00070536455260317 (3.44834e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026625022 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763517 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694934 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030091 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681201 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000705363421307701 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0007053633820806102 (5.56126e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731656 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734127 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760483 (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 = 0.0007053630365991368 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314599 (5.34147e-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: 0.6918275356292725 total elapsed time for run: 0.7087254524230957 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: 0.01685643196105957 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 = 0.01327684595598252 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126228 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114311015934049 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057166476703987 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101148000699562 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507319386 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823230124 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987347952 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008325902737634732 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671143235 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00684198382133276 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104488739 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586514291064102 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827216866 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.0053588178590307 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561402672 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268230854 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599117248 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725260303546851 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354859477 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914334124 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841893109 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790188865 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276283162 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528103 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819597309 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117743675 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575518122 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121674223 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521707814 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001693627002714642 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013250483 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416296603 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.001526837304629348 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621894629 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00125505595022794 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001231638631333738 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578476505 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224141864 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.00108193055899537 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334822708 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581922 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721432382 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846311168 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628580029 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949782467 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829862625 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079878687 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713554663 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097512441 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374227621 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319648524 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462331355 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739505908177803 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230003288 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.000721372530872504 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00069740561834939 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870841647 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629612991155 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006737065007769198 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906844051 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489952561 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390013235 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061253625 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173750625 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036483309 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591543592 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581635397 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731994747 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.000618762000702008 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760235054 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678302557 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419020905 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970681343 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308374894 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027643061 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.000562056690941226 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005569012687017983 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553016847963985 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937975276 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577204651 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000551115467530208 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805410667 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205551 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586064833 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005475762673224155 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775124034 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641611 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842736172 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535774893 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126024694 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841264672 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909022849 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825714 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720898522 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206601 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007929 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922393873 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368096734 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459696 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000543626654438514 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755825 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291739 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567638147 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274725319 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248258 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935516 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431470086 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691636 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739371 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618324 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000543220474670477 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819057 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747447 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113744 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005431979264061518 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708123 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551408 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.000543186397183108 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783242 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996087 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961881 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005431795216099137 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633827 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330679 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791108 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970612 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155119 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489133 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266835 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613663 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343471 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041043 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775088 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149597905 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614576 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 0.6765849590301514 total elapsed time for run: 0.6935157775878906 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: 0.016806364059448242 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 = 0.01396294122459343 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081238 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141396 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01013639857556071 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009897078209528596 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416157337 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991410724 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844188569 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845468423 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279375041 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864558127 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791946472 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005828143295072041 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249133062 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950918018 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263116955 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626891617 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661175169 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003401441414579147 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500875261 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003210733866354732 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419545505 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002833135702069179 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508313482 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055450418 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058542278 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440863973 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958933367 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503148115 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549768582 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473857725 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.00173780035935948 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627697525 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809877616 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783763504 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415259829 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134874547 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.00121862764264679 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764722697 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105182847 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562990655 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671140667 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521880537 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001017851035011847 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468267408 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968769319 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303373647 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733067342 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069752915 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495149487 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129398615 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0008389524700104881 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326974554 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473247727 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921385861 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.00079007934850514 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750196159 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683111283 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007649513901918989 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.000749642836886904 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000739868420114998 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458133992497 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599732269 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013476905 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691329444 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007127713608885487 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341132254 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384193132 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335782133 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284974876 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006893877837380504 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879506029 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006632419730406001 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496963494 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708280226 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006447710424082488 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415621432 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138967639 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858431619 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779103534 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458958286 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595370763 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416290475 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.000628940551380858 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0006288999747737161 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528921937 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812703479 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433406 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.000626841699545734 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.000626398031200749 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788695791 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450038 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225787558 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954459552 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073484649 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880425541 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162151056 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433545 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429860855 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170755781 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.0006240132387223181 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226038 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340021796 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.000623888180401143 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679888682 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541302 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857199 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0006237433266615729 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971076 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688627 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706523 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607951589 (0.000791061% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742964986 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0006236977784986648 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000623680851436497 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339152 (6.47291e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031528478 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000623677544809965 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208746 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778102 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549674258 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373921 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128364 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243754 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.000623668766052175 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016264 (3.63182e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293233 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.000623668459282887 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503626 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852767 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513053 (2.58695e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0006236680212656755 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098809 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588615 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374859 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 0.6658341884613037 total elapsed time for run: 0.6827061176300049 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: 0.016810178756713867 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137826 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767731 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005477 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716917533899 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426279 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337367511 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.00884606847122041 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059086728 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487184962 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033250263 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360065506 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502944896 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808451006579 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924736578 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692931549 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785814607 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513417247 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356099396 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995240102 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517110280212 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465846 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731851225 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865311566 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417322975 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00267421825501747 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620730646 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439691298 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199982192 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595871618 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621304485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099903092 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904572025 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158570305 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709871949 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514528455 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.0012556059368316 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429330668 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348130549 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085920214 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601360823 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102272751 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228236267 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737033219 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996847384 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454963601 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716856435 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052087649 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684583133 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598683753 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224569548 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799143967 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850382274 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.000745260611768172 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151088483 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735444792232598 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362433818 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978561881824588 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205641098 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079994165 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129128369 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909216382 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270715369 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.00064882348060724 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212853982 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507498809 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800941808 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894731467 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645323588 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697109011 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209811997 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342492014709 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651701409 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484411065513 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758352149 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636612735996609 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099687357 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810550405 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.000557306026929735 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161065336 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191069858 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523219410875411 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430648348 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829254 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247699 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627339945 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982131642 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173431 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160586 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511586135 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420894942 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694110129 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189858 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958083428 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826595939 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594489833 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038592778 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466121 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.000544170867687968 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681159 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807557458 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863446948 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911218485592 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355578 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056468 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665377 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437526970877578 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474479 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284915498 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146302 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312681 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436282233599278 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343013919 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184093 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753592 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667312 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333240578 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529869 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482632 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213846 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264166 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347967 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251785 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970961 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192474 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292156 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654267 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624859 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690955 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625769 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520808 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.000543571717405996 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106259 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094437 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337942 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024318 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516389 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298112 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209183 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6769387722015381 total elapsed time for run: 0.6938321590423584 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: 0.01678609848022461 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 = 0.01396282863191974 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820582 (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 = 0.01142848206012346 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057459146038729 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920318 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715119729 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172560019 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170795045 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498807015359 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947436308 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051183116 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00669779664794902 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498632083 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701200531 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740631632 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930979242 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645988147 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.00442961284967924 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339123559 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666296027 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003278987446431486 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606583982 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511903693 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695479486 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993183503 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.002495418664498799 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746197512 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888827827 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598326017 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636085785 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206423549 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511957018 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569880869 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819024771 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759925633 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001312106703371142 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074178061 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001244812802888624 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511294217 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462039179 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570874347 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563309223 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673677195 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945504477 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947531467 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438117967 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664744608 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207671919715 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364038166 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919870395 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200197763 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557778029 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670231078 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773142408 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256327927 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831435884 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853572578 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497475095 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507220009 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122274429 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977475447 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006952825339998874 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539878452 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462250038 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673836854 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099765793 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107600257 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441657608 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006658947663890717 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964770042 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374262336 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470283963 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969045568 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.000620804697023125 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312591879 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006040729522158 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759959452 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756192849 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812230364 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237790567 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070022147 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005919600556574459 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700544122 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208929 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666246577 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274656807 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650863614 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005875433052722631 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124831826 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.000586376221187609 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425553293 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908193785 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619595276 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774639 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651494414 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000584574298922311 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976181143 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166808651 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671582621 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000583931292422002 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407405 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.000583792697746492 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053898 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225577 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.000583623036773242 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833710227 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284352 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005835489435572021 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011389 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973656 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719844 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790132 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.00058345476237779 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858307 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081709 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088889 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653334 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657364 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089001 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253579 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646693 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109805 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106269 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465566 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666902 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005834235029711334 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005834229492303577 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993078027 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917477 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461964 (5.2431e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005834223624832964 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450266 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629415 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005834221953899297 (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: 0.7829158306121826 total elapsed time for run: 0.7997684478759766 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: 0.016758441925048828 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 = 0.01396271777790272 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988518 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131332550580162 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373108285 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177209345 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408591748 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404032058 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607934309 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.0085170422210571 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739069788 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363376946 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679400072 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857350492 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909871874 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406128289 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169280429 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209896982 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00442322091814784 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767415468 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430880139 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527291083 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899190204 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728441392 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266650964 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815915184 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00267421865300317 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014457437 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826857173 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583145843 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976160526 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993066416 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476515761 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286565865 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538397035 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074322154 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884194797 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316220352 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805816813 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709382148 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433398427 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949647893 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450371898 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573711685 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752171807 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329174033 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00091909057725189 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032368703 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371618311 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.000816390894497128 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810811219 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420268109 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983333678 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021576819 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270989028 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295005235 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060472735 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493312821 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989083652 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288502455 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.000681408715190087 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190434216 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940008371 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268152683 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794269104 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461201566452 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505355872 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477634164 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834566096 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576010998 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627040058 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863133703133 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730614147 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543707291 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798586212 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.000579099859694767 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393398846 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884741687 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234242012 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060430036 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786455867 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946542344 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163976986 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191542029 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985944446 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231178782 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396896744 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715169794 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960259631 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646864229 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290371042 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158372536 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310114062 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697908269 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750594252 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561277366 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125030291 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772544261 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.000544624754413111 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389165448 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712528296 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539107894 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592214991 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907769181 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442094447 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691769 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058017914 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585515 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183818387 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018597078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852056603433 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751927928 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862984 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169070743003 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036351 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612565843 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288881 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063255095 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971871 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960219578 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683157 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997823314 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891943 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453871965 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457434 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543575486320526 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977938 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401791866 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115441 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903467395 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078887 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946921 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524454 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635416 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546902 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.000543571731675357 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484046 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102020029 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753443 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714921653862 (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: 0.6695234775543213 total elapsed time for run: 0.686347246170044 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: 0.016754627227783203 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 = 0.01327673301526953 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270232 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290614369 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468708197 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037555868 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894699862481 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077206603037 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008528897111756301 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493546400412 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225570137258 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992372987761 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006670707162309865 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005899156603828499 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00572576982240968 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041231864 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812088892829 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004453132509729582 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239152322 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063392314 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624920873 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195204252 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808236541 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00281848276515034 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289463886842 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636196178 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186928017 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933562712 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580458918 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449841224 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146517042 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455544382 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855804124 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402963956 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854524279628 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736615036 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375783355 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741154134 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516608936 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259216629 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320280541 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612151029 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001076085113561243 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861235618 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822988952 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370435712 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901236070278 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288349465369 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236787239882 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818529321635 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335390110728 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029676046 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856988582 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497959887 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245240868 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989714079246 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092848398585 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148734931 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391730697 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858194224074 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867528271 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634545438 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272503167426 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.000670639727600733 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955615716 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582626038915 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523963774 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006474716357019383 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580363568 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358213226 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250772039176 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861460890293 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623034715 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712867092 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474013244 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005843776722083554 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887259719 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145384123 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988014063 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833027848 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811592863 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656899802 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811393373 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367331995 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359388448 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086929878 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706835896 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.000567445262583815 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515689993 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107217009 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341368569 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341621382 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203245472 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724793396 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676750897 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.000564722463068838 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868328519 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579075406 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419397396 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170974872 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619949869 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885820735 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972378358 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089546 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.000563727211088088 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809174489 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016782 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014322636 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000563562208282848 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669610918 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764395761 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202388 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000563488260732237 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843685 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823345 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467071161 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717762567 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005634592314072825 (0.000539588% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728238 (9.74223e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225938 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005634495415995172 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648362 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229258963 (0.000368045% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502146 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083312 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723524 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976095524 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699772 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005634418467569345 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849291 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.000563441606571134 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236785 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005634414230192413 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051589 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005634412673104909 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039281 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005634410680651267 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005634410555334654 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435908 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175162 (1.19375e-06% change) large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683312 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654745967 (2.23515e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.0005634409086817618 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215182 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794978012 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 0.7049455642700195 total elapsed time for run: 0.721764087677002 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: 0.016773700714111328 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 = 0.01327684378988489 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801794 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373107798 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177209056 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408593119 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404042708 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607959737 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221089238 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739115411 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363465762 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679473404 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285745593 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909916117 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406153267 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169319004 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060820997652 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918246555 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767506993 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430910779 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527361189 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899267671 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728492917 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266714635 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815997016 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653080092 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014473976 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826889402 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583203245 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976219516 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993114878 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476565124 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286621013 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538450593 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074360911 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884226024 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316256345 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805855175 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709424977 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433448195 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949699501 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450423117 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00105083357376074 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752648366 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329703006 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773062198 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603289838 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705372097978 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945458512 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811320886 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420781204 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983840955 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022075771 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271495686 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295515571 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060983039 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493815586 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989565783 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288974278 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152371785 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000674150719091099 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940500128 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268651476 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794768461 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202064553 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505849718 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776835676 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835063805 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576508725 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627537433 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134199604 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731028275 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544204958 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798385051 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597442397 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393864154 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885222792 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234677242 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060914867 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786911735 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000552744594701695 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450241 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192019007 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986412304 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231653115 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397375074 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715642788 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960729998 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117259 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290851396 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158845484 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310580643 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698380249 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751075486 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561750684 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125491954 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773017377 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544604377 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389634349 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712996932 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580577 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592687216 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908240431 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244256526 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202163683 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058489989 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057407 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838655596 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019070252 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075302 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752398859 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334428 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071215181 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508178 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613037293 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760654 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727495 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960691071 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154879 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998295781 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363646 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454343498 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929148 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677409 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251115 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402263551 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587171 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939203 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418694 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996178 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107159 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018642 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225322 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955788 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491787 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225224 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125616 (7.00913e-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: 0.6694436073303223 total elapsed time for run: 0.6862828731536865 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: 0.016689300537109375 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 = 0.01327684378988489 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801794 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373107798 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177209056 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408593119 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404042708 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607959737 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221089238 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739115411 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363465762 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679473404 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285745593 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909916117 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406153267 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169319004 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060820997652 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918246555 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767506993 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430910779 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527361189 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899267671 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728492917 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266714635 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815997016 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653080092 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014473976 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826889402 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583203245 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976219516 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993114878 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476565124 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286621013 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538450593 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074360911 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884226024 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316256345 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805855175 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709424977 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433448195 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949699501 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450423117 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00105083357376074 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752648366 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329703006 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773062198 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603289838 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705372097978 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945458512 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811320886 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420781204 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983840955 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022075771 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271495686 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295515571 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060983039 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493815586 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989565783 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288974278 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152371785 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000674150719091099 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940500128 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268651476 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794768461 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202064553 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505849718 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776835676 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835063805 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576508725 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627537433 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134199604 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731028275 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544204958 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481798385051 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597442397 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393864154 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885222792 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234677242 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060914867 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786911735 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.000552744594701695 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450241 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192019007 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986412304 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231653115 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397375074 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715642788 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960729998 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526469117259 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290851396 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158845484 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310580643 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698380249 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751075486 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561750684 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125491954 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773017377 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544604377 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389634349 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712996932 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580577 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592687216 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908240431 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244256526 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202163683 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058489989 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057407 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838655596 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019070252 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075302 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752398859 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958334428 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071215181 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508178 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613037293 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760654 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063727495 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960691071 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154879 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998295781 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363646 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454343498 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929148 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863677409 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251115 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402263551 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587171 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939203 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418694 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996178 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107159 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018642 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225322 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955788 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491787 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225224 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125616 (7.00913e-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: 0.6788768768310547 total elapsed time for run: 0.6956307888031006 done /tmp/meepWcFBDI/test_point_defect_state-0: 47.03s /tmp/meepWcFBDI/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: 0.0023529529571533203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2019658088684082 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6262619495391846 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13748669624328613 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1272270679473877 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14818263053894043 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.21008896827697754 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17360615730285645 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14832520484924316 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12752556800842285 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12225627899169922 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1224050521850586 Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepWcFBDI/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepWcFBDI/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 = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09601449966430664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11153626441955566 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15216851234436035 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17808246612548828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.355942964553833 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.1425158977508545 done /tmp/meepWcFBDI/test_poynting-0: 3.31s /tmp/meepWcFBDI/test_resolution-0 ======================== /tmp/meepWcFBDI/test_resolution-0: 0.00s /tmp/meepWcFBDI/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: 0.002390146255493164 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20125126838684082 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6279854774475098 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.1388392448425293 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12738037109375 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14741897583007812 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.2093191146850586 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1731860637664795 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1471703052520752 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1272881031036377 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12244105339050293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1214451789855957 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09601378440856934 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1124715805053711 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15322232246398926 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17859315872192383 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.35910630226135254 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.04656982421875 done /tmp/meepWcFBDI/test_run_te-0: 3.05s /tmp/meepWcFBDI/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: 0.0010542869567871094 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 = 28.19057071787511 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139972 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636662 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.0000012998729 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.033797264099121094 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291691 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055374 (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: 0.014346837997436523 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339343 (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: 0.008744478225708008 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56724e-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: 0.00899648666381836 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.4800000000071 (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: 0.008762598037719727 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989866 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.008820772171020508 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: 0.013854503631591797 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 = 10.72763995183926 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986654908 (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: 0.013878583908081055 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182256284 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149830032 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121564885 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833445 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849359 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415474 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484829 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.04447674751281738 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: 0.008756160736083984 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: 0.008714914321899414 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 = 11.04529896810166 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779094615 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.045296605647 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541210784 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421023079 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529299991628 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.0452917810631 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055356832 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931732722 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807223332 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681817829 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555505192 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428274207 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300113467 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171011365 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528040956089 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909935611 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777937698 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644949892 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527510959512 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527375953653 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239919165 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102842672 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964710536 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825508886 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685223579 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.0452654384022 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401344141 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257720397 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526112953763 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967028728 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819929483 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.0452567163992 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522143618 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371423845 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219463538 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066245314 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911751434 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524755963827 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598864058 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.0452444043333 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.0452428065247 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119501928 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.04523956961722 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793011542 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.04523627630631 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460797811 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.04523292491478 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122689582 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951369623 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778508638 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604083192 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428069361 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.0452225044273 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071178367 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890250824 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707634119 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.0452152330172 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337226538 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149380909 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.0452095973658 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768264706 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.04520574935812 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.0452037971981 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182585956 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983502846 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.0451978243841 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579359879 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374233787 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566236107 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022959945 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326735602 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412895951 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816694 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704708 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343349 (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: 0.397308349609375 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: 0.008774995803833008 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756968 (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: 0.008746623992919922 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165835 (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: 0.008728504180908203 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76501e-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: 0.006604433059692383 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: 0.5000000000350684 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464655 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901193 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010294 at Vector3<0.0, 0.0, 0.0> to 1.581138830084638 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164026 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892417 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.414213562375283 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.604964017868042 done /tmp/meepWcFBDI/test_run_te_no_geometry-0: 0.61s /tmp/meepWcFBDI/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: 0.0041391849517822266 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 = 15.08208968479123 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116716004 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614545862 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.7339699177155 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619614665 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.25697606761339 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945410302 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233924584 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.31637399751571 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042072617 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359782116 (2.52216% change) linmin: converged after 5 iterations. iteration 13: trace = 7.660044026740849 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791798305 (2.16178% change) linmin: converged after 5 iterations. iteration 15: trace = 7.355401169806236 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.251380379255984 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.181279625907647 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994661392 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379687743 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.06288091415196 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.042009124932428 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.015249893383587 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025782146 (0.308531% change) linmin: converged after 7 iterations. iteration 24: trace = 6.975094420241718 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.961290668194216 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594748761 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.94459443409145 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076290582 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630124127 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743639678 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558554708 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579445471 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.92195609167536 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275914774 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049445 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696915932 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254084 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.915921952525533 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377795 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.914744471121688 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233634 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487657 (0.00850887% change) linmin: converged after 3 iterations. iteration 43: trace = 6.913069239481031 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881347384 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643358384 (0.00398169% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912146917652495 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.91180783083118 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698885124 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.91095133539311 (0.00661773% change) linmin: converged after 3 iterations. iteration 50: trace = 6.910392908108688 (0.00808065% change) linmin: converged after 6 iterations. iteration 51: trace = 6.909889294476958 (0.00728804% change) linmin: converged after 4 iterations. iteration 52: trace = 6.909402304449356 (0.00704797% change) linmin: converged after 3 iterations. iteration 53: trace = 6.90889511674435 (0.00734081% change) linmin: converged after 3 iterations. iteration 54: trace = 6.908191912216392 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.907108830822217 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217080996 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928771804265 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583046891 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.90262462542679 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943190059112 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190660312447 (0.0253987% change) linmin: converged after 4 iterations. iteration 62: trace = 6.89735129264415 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376357164663 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892250261731 (0.0215255% change) linmin: converged after 5 iterations. iteration 65: trace = 6.8923352623827 (0.0225876% change) linmin: converged after 4 iterations. iteration 66: trace = 6.89075105681531 (0.0229877% change) linmin: converged after 4 iterations. iteration 67: trace = 6.889435727833026 (0.0190901% change) linmin: converged after 4 iterations. iteration 68: trace = 6.888124770679002 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910009198105 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767230688594 (0.0311186% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388867886 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095115189209 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946599635289 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316464202076 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537083319455 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914175796167 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925951657421 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996384624155 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874607000810003 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.873714381920307 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576208463214 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977203314218 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858849946 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477620290302 (0.0176212% change) linmin: converged after 7 iterations. iteration 85: trace = 6.86656517001039 (0.0132874% change) linmin: converged after 4 iterations. iteration 86: trace = 6.865179368884441 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623638715433 (0.0372344% change) linmin: converged after 5 iterations. iteration 88: trace = 6.861124922074278 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020410839045 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995937763451 (0.0176128% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118223006986 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128032153819 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378783753809 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983888199066 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775832584194 (0.0030347% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523308973736 (0.00368344% change) linmin: converged after 4 iterations. iteration 97: trace = 6.855274952442322 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160804682026 (0.00166512% change) linmin: converged after 3 iterations. iteration 99: trace = 6.855076132150407 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953018827793 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818093961904 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809547565 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951167247 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880197811 (0.000511634% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854645200163929 (0.000564288% change) linmin: converged after 3 iterations. iteration 106: trace = 6.854612594433525 (0.000475675% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854584016327067 (0.000416919% change) linmin: converged after 3 iterations. iteration 108: trace = 6.854554271056742 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730376675 (0.000358021% change) linmin: converged after 4 iterations. iteration 110: trace = 6.854510325902559 (0.00028309% change) linmin: converged after 3 iterations. iteration 111: trace = 6.854489440820069 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899935759 (0.000241315% change) linmin: converged after 6 iterations. iteration 113: trace = 6.854456195634476 (0.0002437% change) linmin: converged after 5 iterations. iteration 114: trace = 6.85443550230052 (0.000301897% change) linmin: converged after 3 iterations. iteration 115: trace = 6.854411317351146 (0.000352837% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854399035483195 (0.000179182% change) linmin: converged after 5 iterations. iteration 117: trace = 6.854391104878105 (0.000115701% change) large trace change predicted (0.000265238%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905573586 (0.000265513% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854352891133574 (0.000291996% change) linmin: converged after 3 iterations. iteration 120: trace = 6.854343558594466 (0.000136155% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050580211 (8.0358e-05% change) linmin: converged after 7 iterations. iteration 122: trace = 6.854333109490156 (7.20871e-05% change) linmin: converged after 6 iterations. iteration 123: trace = 6.854329720156182 (4.94481e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854326963557062 (4.02169e-05% change) linmin: converged after 8 iterations. iteration 125: trace = 6.854323815858351 (4.59228e-05% change) linmin: converged after 6 iterations. iteration 126: trace = 6.85432065366517 (4.61343e-05% change) linmin: converged after 3 iterations. iteration 127: trace = 6.854318503045873 (3.13761e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854316481647701 (2.94909e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.854314968364221 (2.20778e-05% change) linmin: converged after 5 iterations. iteration 130: trace = 6.85431429988537 (9.75267e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678925103 (9.05941e-06% change) linmin: converged after 5 iterations. iteration 132: trace = 6.854312884141969 (1.15954e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 6.854311865421999 (1.48625e-05% change) linmin: converged after 3 iterations. iteration 134: trace = 6.85431129852476 (8.27067e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.854310824288859 (6.9188e-06% change) linmin: converged after 3 iterations. iteration 136: trace = 6.854310167489977 (9.58228e-06% change) linmin: converged after 5 iterations. iteration 137: trace = 6.854309289725785 (1.2806e-05% change) linmin: converged after 5 iterations. iteration 138: trace = 6.854308657038204 (9.23051e-06% change) linmin: converged after 10 iterations. iteration 139: trace = 6.854307923972958 (1.0695e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 6.854307417830927 (7.38429e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969841355 (6.53588e-06% change) linmin: converged after 4 iterations. iteration 142: trace = 6.85430647449344 (7.22681e-06% change) linmin: converged after 4 iterations. iteration 143: trace = 6.85430605849356 (6.06918e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757013449 (4.3984e-06% change) linmin: converged after 8 iterations. iteration 145: trace = 6.854305444765187 (4.55551e-06% change) linmin: converged after 5 iterations. iteration 146: trace = 6.854304890125507 (8.09184e-06% change) linmin: converged after 6 iterations. iteration 147: trace = 6.854304491546762 (5.81501e-06% change) linmin: converged after 4 iterations. iteration 148: trace = 6.854304291648087 (2.9164e-06% change) linmin: converged after 3 iterations. iteration 149: trace = 6.854304060874488 (3.36684e-06% change) linmin: converged after 6 iterations. iteration 150: trace = 6.854303700846808 (5.25258e-06% change) linmin: converged after 6 iterations. iteration 151: trace = 6.854303402027218 (4.35959e-06% change) linmin: converged after 2 iterations. iteration 152: trace = 6.854303138055021 (3.85119e-06% change) linmin: converged after 2 iterations. iteration 153: trace = 6.854302877242921 (3.80509e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.854302639711984 (3.46543e-06% change) linmin: converged after 9 iterations. iteration 155: trace = 6.854302422454993 (3.16964e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260230821 (2.36675e-06% change) linmin: converged after 4 iterations. iteration 157: trace = 6.854302022930912 (3.46206e-06% change) linmin: converged after 7 iterations. iteration 158: trace = 6.85430180303254 (3.20818e-06% change) linmin: converged after 18 iterations. iteration 159: trace = 6.854301558046092 (3.5742e-06% change) linmin: converged after 3 iterations. iteration 160: trace = 6.854301404175528 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308351372 (1.39801e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245807461 (9.12477e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157852998 (1.2832e-06% change) linmin: converged after 4 iterations. iteration 164: trace = 6.854301069004066 (1.29625e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009947149 (8.61604e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969713321 (5.86987e-07% change) linmin: converged after 10 iterations. iteration 167: trace = 6.854300948112573 (3.15142e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 6.854300932088248 (2.33785e-07% change) linmin: converged after 6 iterations. iteration 169: trace = 6.854300911099033 (3.0622e-07% change) linmin: converged after 7 iterations. iteration 170: trace = 6.854300891936485 (2.7957e-07% change) linmin: converged after 4 iterations. iteration 171: trace = 6.854300881371584 (1.54135e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.854300873104932 (1.20605e-07% change) linmin: converged after 8 iterations. iteration 173: trace = 6.854300860998372 (1.76627e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852079977 (1.30114e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.854300842757294 (1.36012e-07% change) linmin: converged after 4 iterations. iteration 176: trace = 6.854300830352154 (1.80983e-07% change) linmin: converged after 4 iterations. iteration 177: trace = 6.854300822700658 (1.11631e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300818013659 (6.83804e-08% change) linmin: converged after 21 iterations. iteration 179: trace = 6.854300813566285 (6.48844e-08% change) linmin: converged after 4 iterations. iteration 180: trace = 6.854300808243591 (7.76548e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801740776 (9.4872e-08% change) linmin: converged after 3 iterations. iteration 182: trace = 6.85430079540607 (9.24194e-08% change) linmin: converged after 10 iterations. iteration 183: trace = 6.854300791295135 (5.9976e-08% change) linmin: converged after 4 iterations. iteration 184: trace = 6.854300788116843 (4.63693e-08% change) linmin: converged after 5 iterations. iteration 185: trace = 6.854300785141892 (4.34027e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 6.854300781061232 (5.95343e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778437392 (3.82802e-08% change) linmin: converged after 5 iterations. iteration 188: trace = 6.854300776930478 (2.19849e-08% change) linmin: converged after 6 iterations. iteration 189: trace = 6.85430077566313 (1.84898e-08% change) linmin: converged after 18 iterations. iteration 190: trace = 6.854300774363827 (1.8956e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773190217 (1.71222e-08% change) linmin: converged after 4 iterations. iteration 192: trace = 6.854300772700891 (7.13896e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772366737 (4.8751e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771832659 (7.79186e-09% change) linmin: converged after 3 iterations. iteration 195: trace = 6.854300771437179 (5.76981e-09% change) linmin: converged after 8 iterations. iteration 196: trace = 6.854300771258244 (2.61055e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771183554 (1.08969e-09% change) linmin: converged after 10 iterations. iteration 198: trace = 6.854300771136412 (6.8777e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771069527 (9.75813e-10% change) linmin: converged after 4 iterations. iteration 200: trace = 6.8543007710093 (8.78667e-10% change) linmin: converged after 4 iterations. iteration 201: trace = 6.854300770986319 (3.35288e-10% change) linmin: converged after 3 iterations. iteration 202: trace = 6.854300770974828 (1.67637e-10% change) linmin: converged after 4 iterations. iteration 203: trace = 6.854300770964866 (1.4535e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.854300770958573 (9.18072e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.3459975719451904 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457508122 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.00324735589511 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932452608 (0.402164% change) linmin: converged after 8 iterations. iteration 4: trace = 6.971270250944979 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.956267447169417 (0.215441% change) linmin: converged after 6 iterations. iteration 6: trace = 6.933392863963741 (0.329376% change) linmin: converged after 10 iterations. iteration 7: trace = 6.931992236167423 (0.0202032% change) large trace change predicted (0.205294%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331345020131 (0.21172% change) linmin: converged after 5 iterations. iteration 9: trace = 6.902037287441262 (0.221342% change) linmin: converged after 4 iterations. iteration 10: trace = 6.90081642810138 (0.01769% change) linmin: converged after 5 iterations. iteration 11: trace = 6.898720539324142 (0.0303762% change) large trace change predicted (0.158394%) linmin: converged after 19 iterations. iteration 12: trace = 6.888130245343406 (0.153629% change) linmin: converged after 4 iterations. iteration 13: trace = 6.885392522679145 (0.0397534% change) linmin: converged after 5 iterations. iteration 14: trace = 6.881023568415886 (0.0634726% change) large trace change predicted (0.55157%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122267697354 (0.434028% change) linmin: converged after 6 iterations. iteration 16: trace = 6.848570408056824 (0.0387198% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532315149009 (0.0297638% change) large trace change predicted (0.1185%) linmin: converged after 5 iterations. iteration 18: trace = 6.838958661163577 (0.110682% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261196287259 (0.0101989% change) large trace change predicted (0.036361%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756659707806 (0.0366321% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548358266867 (0.061582% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144937056162 (0.00590544% change) large trace change predicted (0.0574299%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114344338429 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314215177425 (0.0556778% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904118622193 (0.00601041% change) large trace change predicted (0.047251%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507922003038 (0.0497888% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042460200787 (0.0214916% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386942193121 (0.00961492% change) large trace change predicted (0.0746119%) linmin: converged after 10 iterations. iteration 29: trace = 6.81180202204633 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011755420875 (0.0116021% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751712137849 (0.0185018% change) large trace change predicted (0.0615001%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453192866918 (0.0631429% change) linmin: converged after 4 iterations. iteration 33: trace = 6.80502557601484 (0.00628364% change) large trace change predicted (0.0298702%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296478646255 (0.0302879% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346845481705 (0.0384898% change) linmin: converged after 3 iterations. iteration 36: trace = 6.80015757000084 (0.00278336% change) large trace change predicted (0.0152511%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129718862861 (0.0151163% change) linmin: converged after 4 iterations. iteration 38: trace = 6.79775373499554 (0.0202397% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626590937046 (0.0018704% change) large trace change predicted (0.00964225%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985925334308 (0.00942529% change) linmin: converged after 4 iterations. iteration 41: trace = 6.79634697024816 (0.00940101% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284300846274 (0.000922108% change) large trace change predicted (0.00629593%) linmin: converged after 4 iterations. iteration 43: trace = 6.795867587065642 (0.00613168% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406394578158 (0.0067866% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367583780396 (0.000571134% change) large trace change predicted (0.0028418%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177149460803 (0.00280245% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940915006871 (0.00347656% change) linmin: converged after 4 iterations. iteration 48: trace = 6.794907132102425 (0.000497179% change) large trace change predicted (0.00433704%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615983576223 (0.0042849% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255730910464 (0.00530217% change) linmin: converged after 4 iterations. iteration 51: trace = 6.794217395869769 (0.000564229% change) large trace change predicted (0.00335235%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991255403194 (0.00332848% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728112841309 (0.00387324% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694254427924 (0.000498379% change) large trace change predicted (0.0036582%) linmin: converged after 4 iterations. iteration 55: trace = 6.79344631252535 (0.00364966% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196850078703 (0.00367217% change) linmin: converged after 8 iterations. iteration 57: trace = 6.793167320948665 (0.000434688% change) large trace change predicted (0.00302325%) linmin: converged after 4 iterations. iteration 58: trace = 6.792962187448349 (0.00301975% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775383152728 (0.00275001% change) linmin: converged after 5 iterations. iteration 60: trace = 6.792756986041669 (0.000270834% change) large trace change predicted (0.00165673%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644676550858 (0.00165338% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550295892667 (0.00138946% change) linmin: converged after 3 iterations. iteration 63: trace = 6.792537664844216 (0.000185955% change) large trace change predicted (0.00160113%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429289976411 (0.00159551% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340576293994 (0.00130608% change) linmin: converged after 5 iterations. iteration 66: trace = 6.792331550811124 (0.000132877% change) large trace change predicted (0.000841079%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274580982823 (0.000838741% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237438873188 (0.00054683% change) linmin: converged after 8 iterations. iteration 69: trace = 6.79223260968132 (7.10987e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.792228298248721 (6.34759e-05% change) large trace change predicted (0.00110163%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153697482441 (0.00109833% change) linmin: converged after 4 iterations. iteration 72: trace = 6.792149585448059 (6.0541e-05% change) large trace change predicted (0.000708874%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101529689694 (0.000707522% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860869642 (2.457e-05% change) large trace change predicted (0.000619235%) linmin: converged after 6 iterations. iteration 75: trace = 6.792057863627431 (0.000618327% change) linmin: converged after 5 iterations. iteration 76: trace = 6.792056166449616 (2.49877e-05% change) large trace change predicted (0.000404356%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028686742894 (0.000404587% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026995831124 (2.48955e-05% change) large trace change predicted (0.000260516%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009281025196 (0.000260818% change) linmin: converged after 5 iterations. iteration 80: trace = 6.792008454027298 (1.2176e-05% change) large trace change predicted (0.000159602%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997602716245 (0.000159766% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904960005 (1.02732e-05% change) large trace change predicted (8.63066e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991040292054 (8.63468e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706012251 (4.92168e-06% change) large trace change predicted (6.54507e-05%) linmin: converged after 3 iterations. iteration 85: trace = 6.791986260241834 (6.54561e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986001058913 (3.81601e-06% change) large trace change predicted (5.3759e-05%) linmin: converged after 3 iterations. iteration 87: trace = 6.791982348988416 (5.37703e-05% change) linmin: converged after 5 iterations. iteration 88: trace = 6.791981791489809 (8.20819e-06% change) large trace change predicted (5.90508e-05%) linmin: converged after 6 iterations. iteration 89: trace = 6.791977786142967 (5.89717e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820460336 (1.4218e-05% change) linmin: converged after 9 iterations. iteration 91: trace = 6.791975604019052 (1.791e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900344188 (2.50836e-05% change) linmin: converged after 3 iterations. iteration 93: trace = 6.7919732442558 (9.65976e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 6.791972185628386 (1.55864e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.791971554406153 (9.29365e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944588426 (8.97851e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970209377941 (1.08247e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 6.791969818882897 (5.74936e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.791969203841593 (9.05542e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708442592 (7.29389e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 6.791968611825404 (1.42252e-06% change) large trace change predicted (4.79486e-06%) linmin: converged after 3 iterations. iteration 102: trace = 6.791968286146489 (4.79506e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.791968251937404 (5.0367e-07% change) large trace change predicted (2.24041e-06%) linmin: converged after 3 iterations. iteration 104: trace = 6.791968099780034 (2.24025e-06% change) linmin: converged after 4 iterations. iteration 105: trace = 6.791968091618259 (1.20168e-07% change) large trace change predicted (2.03966e-06%) linmin: converged after 9 iterations. iteration 106: trace = 6.791967953087496 (2.03963e-06% change) linmin: converged after 4 iterations. iteration 107: trace = 6.791967948032369 (7.4428e-08% change) large trace change predicted (1.4623e-06%) linmin: converged after 24 iterations. iteration 108: trace = 6.791967848710193 (1.46235e-06% change) linmin: converged after 3 iterations. iteration 109: trace = 6.791967845208402 (5.15578e-08% change) large trace change predicted (1.32814e-06%) linmin: converged after 2 iterations. iteration 110: trace = 6.7919677550012 (1.32815e-06% change) linmin: converged after 7 iterations. iteration 111: trace = 6.791967748463809 (9.62518e-08% change) large trace change predicted (1.17357e-06%) linmin: converged after 11 iterations. iteration 112: trace = 6.791967668748672 (1.17367e-06% change) linmin: converged after 4 iterations. iteration 113: trace = 6.791967664227183 (6.65711e-08% change) large trace change predicted (7.67241e-07%) linmin: converged after 5 iterations. iteration 114: trace = 6.791967612114353 (7.67271e-07% change) linmin: converged after 6 iterations. iteration 115: trace = 6.791967610916569 (1.76353e-08% change) large trace change predicted (3.10011e-07%) linmin: converged after 19 iterations. iteration 116: trace = 6.791967589860286 (3.10017e-07% change) linmin: converged after 26 iterations. iteration 117: trace = 6.791967587002989 (4.20688e-08% change) large trace change predicted (2.7727e-07%) linmin: converged after 14 iterations. iteration 118: trace = 6.791967568170437 (2.77277e-07% change) linmin: converged after 16 iterations. iteration 119: trace = 6.791967562059491 (8.99731e-08% change) large trace change predicted (2.34752e-07%) linmin: converged after 10 iterations. iteration 120: trace = 6.791967546114813 (2.34758e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.791967543172387 (4.33222e-08% change) large trace change predicted (2.55326e-07%) linmin: converged after 10 iterations. iteration 122: trace = 6.791967525830158 (2.55334e-07% change) linmin: converged after 19 iterations. iteration 123: trace = 6.791967524520198 (1.92869e-08% change) large trace change predicted (7.52199e-08%) linmin: converged after 2 iterations. iteration 124: trace = 6.791967519411258 (7.52203e-08% change) linmin: converged after 13 iterations. iteration 125: trace = 6.791967517034437 (3.49946e-08% change) linmin: converged after 7 iterations. iteration 126: trace = 6.791967515493109 (2.26934e-08% change) linmin: converged after 4 iterations. iteration 127: trace = 6.791967512834121 (3.9149e-08% change) linmin: converged after 7 iterations. iteration 128: trace = 6.791967512522146 (4.59329e-09% change) large trace change predicted (3.94014e-08%) linmin: converged after 6 iterations. iteration 129: trace = 6.791967509845976 (3.9402e-08% change) linmin: converged after 16 iterations. iteration 130: trace = 6.791967509680034 (2.44321e-09% change) large trace change predicted (5.25683e-08%) linmin: converged after 10 iterations. iteration 131: trace = 6.791967506109573 (5.25689e-08% change) linmin: converged after 9 iterations. iteration 132: trace = 6.791967505780152 (4.85017e-09% change) large trace change predicted (5.30128e-08%) linmin: converged after 4 iterations. iteration 133: trace = 6.791967502179507 (5.30133e-08% change) linmin: converged after 4 iterations. iteration 134: trace = 6.791967501903938 (4.05728e-09% change) large trace change predicted (2.32009e-08%) linmin: converged after 4 iterations. iteration 135: trace = 6.791967500328152 (2.32007e-08% change) linmin: converged after 4 iterations. iteration 136: trace = 6.791967500215409 (1.65994e-09% change) large trace change predicted (1.41475e-08%) linmin: converged after 20 iterations. iteration 137: trace = 6.791967499254508 (1.41476e-08% change) linmin: converged after 20 iterations. iteration 138: trace = 6.791967499220275 (5.04023e-10% change) large trace change predicted (1.24902e-08%) linmin: converged after 17 iterations. iteration 139: trace = 6.79196749837195 (1.24901e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 140: trace = 6.79196749829086 (1.19391e-09% change) linmin: converged after 4 iterations. iteration 141: trace = 6.79196749814053 (2.21334e-09% change) linmin: converged after 8 iterations. iteration 142: trace = 6.791967497953027 (2.76066e-09% change) linmin: converged after 3 iterations. iteration 143: trace = 6.791967497892869 (8.85724e-10% change) large trace change predicted (3.93668e-09%) linmin: converged after 4 iterations. iteration 144: trace = 6.791967497625488 (3.93672e-09% change) linmin: converged after 4 iterations. iteration 145: trace = 6.791967497591306 (5.03277e-10% change) large trace change predicted (6.20318e-09%) linmin: converged after 11 iterations. iteration 146: trace = 6.791967497169973 (6.20339e-09% change) linmin: converged after 14 iterations. iteration 147: trace = 6.791967497150639 (2.84671e-10% change) large trace change predicted (4.83516e-09%) linmin: converged after 4 iterations. iteration 148: trace = 6.791967496822246 (4.83501e-09% change) linmin: converged after 4 iterations. iteration 149: trace = 6.791967496812233 (1.47429e-10% change) large trace change predicted (2.50974e-09%) linmin: converged after 9 iterations. iteration 150: trace = 6.791967496641764 (2.50986e-09% change) linmin: converged after 5 iterations. iteration 151: trace = 6.791967496532003 (1.61604e-09% change) linmin: converged after 7 iterations. iteration 152: trace = 6.791967496513525 (2.72052e-10% change) large trace change predicted (8.86632e-10%) linmin: converged after 31 iterations. iteration 153: trace = 6.791967496453308 (8.86587e-10% change) linmin: converged after 16 iterations. iteration 154: trace = 6.791967496368463 (1.2492e-09% change) linmin: converged after 6 iterations. iteration 155: trace = 6.791967496276873 (1.3485e-09% change) linmin: converged after 12 iterations. iteration 156: trace = 6.791967496248299 (4.2071e-10% change) linmin: converged after 18 iterations. iteration 157: trace = 6.791967496221283 (3.9776e-10% change) large trace change predicted (1.22012e-09%) linmin: converged after 17 iterations. iteration 158: trace = 6.791967496138389 (1.22048e-09% change) linmin: converged after 8 iterations. iteration 159: trace = 6.791967496122049 (2.40576e-10% change) large trace change predicted (7.4082e-10%) linmin: converged after 5 iterations. iteration 160: trace = 6.791967496071732 (7.40832e-10% change) linmin: converged after 7 iterations. iteration 161: trace = 6.791967496019941 (7.62527e-10% change) linmin: converged after 4 iterations. iteration 162: trace = 6.791967496013989 (8.76413e-11% change) Finished solving for bands 1 to 8 after 162 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 1.502415418624878 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233441641876 (0.0293405% change) large trace change predicted (0.119595%) linmin: converged after 4 iterations. iteration 2: trace = 6.771228394047278 (0.118152% change) linmin: converged after 4 iterations. iteration 3: trace = 6.767887171794197 (0.0493566% change) linmin: converged after 4 iterations. iteration 4: trace = 6.766771237808069 (0.01649% change) linmin: converged after 3 iterations. iteration 5: trace = 6.765534925703315 (0.018272% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765291634128831 (0.00359611% change) large trace change predicted (0.0160515%) linmin: converged after 4 iterations. iteration 7: trace = 6.764214924676268 (0.0159165% change) linmin: converged after 4 iterations. iteration 8: trace = 6.764073988208749 (0.00208358% change) large trace change predicted (0.00881597%) linmin: converged after 4 iterations. iteration 9: trace = 6.763477868581728 (0.00881341% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112070638734 (0.00540858% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840140023939 (0.00402087% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589422883889 (0.00370734% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762499874642598 (0.00132418% change) large trace change predicted (0.00532122%) linmin: converged after 3 iterations. iteration 14: trace = 6.76213815533186 (0.00534904% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762073933511123 (0.000949731% change) large trace change predicted (0.00412979%) linmin: converged after 3 iterations. iteration 16: trace = 6.76179273524277 (0.00415855% change) linmin: converged after 3 iterations. iteration 17: trace = 6.76163752103801 (0.00229549% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443370796269 (0.00287139% change) linmin: converged after 3 iterations. iteration 19: trace = 6.761353788478459 (0.00132491% change) linmin: converged after 4 iterations. iteration 20: trace = 6.761311619890425 (0.000623673% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229003071614 (0.00122191% change) linmin: converged after 6 iterations. iteration 22: trace = 6.761214961215303 (0.000207682% change) large trace change predicted (0.00158417%) linmin: converged after 4 iterations. iteration 23: trace = 6.761107889748313 (0.00158363% change) linmin: converged after 6 iterations. iteration 24: trace = 6.761090406934661 (0.000258579% change) large trace change predicted (0.00136258%) linmin: converged after 3 iterations. iteration 25: trace = 6.760998261802475 (0.00136288% change) linmin: converged after 5 iterations. iteration 26: trace = 6.760971110225588 (0.000401592% change) linmin: converged after 3 iterations. iteration 27: trace = 6.760936771534138 (0.000507897% change) linmin: converged after 3 iterations. iteration 28: trace = 6.760912318225774 (0.000361686% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760909421195591 (4.28497e-05% change) large trace change predicted (0.000304917%) linmin: converged after 3 iterations. iteration 30: trace = 6.760888792676741 (0.000305115% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760883594408695 (7.68874e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.760874310972022 (0.000137311% change) linmin: converged after 3 iterations. iteration 33: trace = 6.760861594282406 (0.000188093% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856600951599 (7.38565e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760846730964605 (0.000145987% change) linmin: converged after 4 iterations. iteration 36: trace = 6.760841841419216 (7.23215e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.760834867788668 (0.000103147% change) linmin: converged after 3 iterations. iteration 38: trace = 6.760832912193266 (2.89254e-05% change) large trace change predicted (5.9878e-05%) linmin: converged after 4 iterations. iteration 39: trace = 6.760828865373516 (5.98568e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.760828185581632 (1.00549e-05% change) large trace change predicted (5.5751e-05%) linmin: converged after 3 iterations. iteration 41: trace = 6.760824417008537 (5.57413e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.760822945665919 (2.17628e-05% change) large trace change predicted (4.40212e-05%) linmin: converged after 3 iterations. iteration 43: trace = 6.760819970654282 (4.40037e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760817661170686 (3.41598e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.760817362719794 (4.41442e-06% change) large trace change predicted (1.66346e-05%) linmin: converged after 3 iterations. iteration 46: trace = 6.760816238403482 (1.66299e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.760815902397092 (4.96991e-06% change) large trace change predicted (1.19191e-05%) linmin: converged after 4 iterations. iteration 48: trace = 6.760815096673548 (1.19175e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760814847198472 (3.69001e-06% change) large trace change predicted (9.85169e-06%) linmin: converged after 4 iterations. iteration 50: trace = 6.760814181193436 (9.85096e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814006679053 (2.58126e-06% change) large trace change predicted (5.77122e-06%) linmin: converged after 6 iterations. iteration 52: trace = 6.760813616516111 (5.77095e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.760813217179035 (5.90664e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813111938622 (1.55662e-06% change) large trace change predicted (4.10003e-06%) linmin: converged after 3 iterations. iteration 55: trace = 6.76081283473298 (4.10018e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.760812801622822 (4.89736e-07% change) large trace change predicted (2.31958e-06%) linmin: converged after 3 iterations. iteration 57: trace = 6.760812644783681 (2.31983e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.760812590089066 (8.08995e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 6.76081250344379 (1.28158e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812391143544 (1.66105e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 6.760812374479038 (2.46487e-07% change) large trace change predicted (8.05024e-07%) linmin: converged after 9 iterations. iteration 62: trace = 6.760812320053341 (8.05017e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.760812313629284 (9.5019e-08% change) large trace change predicted (5.62978e-07%) linmin: converged after 2 iterations. iteration 64: trace = 6.760812275566658 (5.62989e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.760812266372968 (1.35985e-07% change) large trace change predicted (4.27549e-07%) linmin: converged after 28 iterations. iteration 66: trace = 6.760812237466348 (4.27561e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.760812228055358 (1.39199e-07% change) large trace change predicted (2.81833e-07%) linmin: converged after 4 iterations. iteration 68: trace = 6.760812209000683 (2.8184e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 6.760812198362954 (1.57344e-07% change) resetting CG direction... linmin: converged after 27 iterations. iteration 70: trace = 6.760812195295146 (4.53763e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.760812190127972 (7.64283e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.760812188843889 (1.8993e-08% change) large trace change predicted (1.00157e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.760812182072366 (1.00158e-07% change) linmin: converged after 3 iterations. iteration 74: trace = 6.760812180101489 (2.91515e-08% change) large trace change predicted (7.30784e-08%) linmin: converged after 24 iterations. iteration 75: trace = 6.760812175160698 (7.30798e-08% change) linmin: converged after 3 iterations. iteration 76: trace = 6.760812173139199 (2.99002e-08% change) linmin: converged after 34 iterations. iteration 77: trace = 6.760812169521257 (5.35134e-08% change) linmin: converged after 3 iterations. iteration 78: trace = 6.760812164796373 (6.98863e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 6.76081216277655 (2.98754e-08% change) large trace change predicted (8.73405e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812156871602 (8.73408e-08% change) linmin: converged after 20 iterations. iteration 81: trace = 6.760812156195567 (9.99931e-09% change) large trace change predicted (5.73423e-08%) linmin: converged after 7 iterations. iteration 82: trace = 6.760812152318783 (5.7342e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812150003541 (3.4245e-08% change) linmin: converged after 23 iterations. iteration 84: trace = 6.760812149379663 (9.22785e-09% change) linmin: converged after 8 iterations. iteration 85: trace = 6.760812148322966 (1.56297e-08% change) linmin: converged after 9 iterations. iteration 86: trace = 6.760812147898752 (6.27459e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.760812147239957 (9.74433e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 6.760812146649582 (8.73231e-09% change) linmin: converged after 4 iterations. iteration 89: trace = 6.760812146453342 (2.9026e-09% change) large trace change predicted (1.34717e-08%) linmin: converged after 13 iterations. iteration 90: trace = 6.760812145542535 (1.34719e-08% change) linmin: converged after 4 iterations. iteration 91: trace = 6.76081214544579 (1.43096e-09% change) large trace change predicted (7.85084e-09%) linmin: converged after 4 iterations. iteration 92: trace = 6.760812144915012 (7.8508e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144655719 (3.83523e-09% change) linmin: converged after 11 iterations. iteration 94: trace = 6.760812144609922 (6.77391e-10% change) large trace change predicted (3.14712e-09%) linmin: converged after 13 iterations. iteration 95: trace = 6.760812144397145 (3.14722e-09% change) linmin: converged after 2 iterations. iteration 96: trace = 6.760812144333388 (9.43038e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.760812144218439 (1.70021e-09% change) linmin: converged after 18 iterations. iteration 98: trace = 6.760812144134134 (1.24697e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144093567 (6.0004e-10% change) linmin: converged after 2 iterations. iteration 100: trace = 6.760812144037224 (8.33382e-10% change) linmin: converged after 14 iterations. iteration 101: trace = 6.760812144009369 (4.11994e-10% change) large trace change predicted (8.26643e-10%) linmin: converged after 13 iterations. iteration 102: trace = 6.760812143953476 (8.26721e-10% change) linmin: converged after 17 iterations. iteration 103: trace = 6.760812143944047 (1.39464e-10% change) large trace change predicted (6.61468e-10%) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143899317 (6.61613e-10% change) linmin: converged after 13 iterations. iteration 105: trace = 6.760812143873949 (3.75223e-10% change) linmin: converged after 6 iterations. iteration 106: trace = 6.76081214386317 (1.59433e-10% change) linmin: converged after 2 iterations. iteration 107: trace = 6.760812143850752 (1.83671e-10% change) linmin: converged after 5 iterations. iteration 108: trace = 6.760812143847753 (4.43642e-11% change) Finished solving for bands 1 to 8 after 108 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 1.0035793781280518 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819465243863 (0.06834% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521755612244 (0.0484162% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878660930593 (0.0388222% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531473302845 (0.00510067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858764650375 (0.00988377% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278549187618 (0.0085256% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018687873983 (0.0038186% change) large trace change predicted (0.00764404%) linmin: converged after 4 iterations. iteration 8: trace = 6.80449972474734 (0.00762647% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166018245143 (0.00490432% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799170563567 (0.00539166% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510107486535 (0.00424864% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404255309975 (0.00155586% change) large trace change predicted (0.00417125%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119533272252 (0.00418508% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867661929278 (0.00370236% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805645173154 (0.000911631% change) large trace change predicted (0.00372628%) linmin: converged after 3 iterations. iteration 16: trace = 6.802550996443891 (0.00374336% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508923413439 (0.000618491% change) large trace change predicted (0.00153212%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404640091569 (0.00153302% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277515055813 (0.00186884% change) linmin: converged after 4 iterations. iteration 20: trace = 6.802247412847812 (0.000442532% change) large trace change predicted (0.00128709%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159757029528 (0.00128864% change) linmin: converged after 4 iterations. iteration 22: trace = 6.80209712028442 (0.00092084% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077243968016 (0.000292209% change) large trace change predicted (0.000723496%) linmin: converged after 5 iterations. iteration 24: trace = 6.802028029948096 (0.000723517% change) linmin: converged after 8 iterations. iteration 25: trace = 6.802006303154553 (0.000319417% change) linmin: converged after 3 iterations. iteration 26: trace = 6.80199148093079 (0.00021791% change) linmin: converged after 6 iterations. iteration 27: trace = 6.801969366852878 (0.000325112% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957904936359 (0.000168509% change) linmin: converged after 3 iterations. iteration 29: trace = 6.80195181326265 (8.95577e-05% change) large trace change predicted (0.000209705%) linmin: converged after 4 iterations. iteration 30: trace = 6.801937551018375 (0.000209679% change) linmin: converged after 3 iterations. iteration 31: trace = 6.80193452619722 (4.447e-05% change) large trace change predicted (0.000222081%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919423738822 (0.000222032% change) linmin: converged after 3 iterations. iteration 33: trace = 6.801915439766209 (5.85713e-05% change) large trace change predicted (0.000117884%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423051762 (0.00011786% change) linmin: converged after 13 iterations. iteration 35: trace = 6.801902761610216 (6.85314e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 6.801901493698665 (1.86405e-05% change) large trace change predicted (5.41488e-05%) linmin: converged after 3 iterations. iteration 37: trace = 6.80189781070756 (5.41465e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895868174937 (2.85587e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985232728 (2.76826e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.801891472670421 (3.69392e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.801890701397484 (1.13391e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.80188923531685 (2.1554e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.801888224167427 (1.48657e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.801887980636946 (3.58034e-06% change) large trace change predicted (7.42413e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475670146 (7.42392e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 6.801887185005938 (4.27329e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 6.801886748174105 (6.42222e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976054443 (1.13516e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.801885695025128 (4.13164e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.801885358623745 (4.94571e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217487484 (2.07496e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.801885140522172 (1.13153e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.801885017880281 (1.80306e-06% change) linmin: converged after 15 iterations. iteration 54: trace = 6.801884972687149 (6.64421e-07% change) large trace change predicted (1.67265e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858914875 (1.67266e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.801884766720919 (1.35542e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.80188474334159 (3.43718e-07% change) large trace change predicted (7.51018e-07%) linmin: converged after 3 iterations. iteration 58: trace = 6.80188469225777 (7.51024e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.801884672392214 (2.9206e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 6.801884645654776 (3.93089e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.801884622533833 (3.3992e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.801884613617127 (1.31092e-07% change) large trace change predicted (2.88125e-07%) linmin: converged after 9 iterations. iteration 63: trace = 6.801884594018422 (2.88136e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.801884584502534 (1.39901e-07% change) linmin: converged after 22 iterations. iteration 65: trace = 6.80188457646879 (1.18111e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.801884566589885 (1.45238e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.801884562867713 (5.47227e-08% change) linmin: converged after 7 iterations. iteration 68: trace = 6.80188455549145 (1.08444e-07% change) linmin: converged after 12 iterations. iteration 69: trace = 6.801884549028776 (9.5013e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 70: trace = 6.801884547534658 (2.19662e-08% change) linmin: converged after 3 iterations. iteration 71: trace = 6.801884545370607 (3.18155e-08% change) linmin: converged after 14 iterations. iteration 72: trace = 6.801884544138886 (1.81085e-08% change) linmin: converged after 2 iterations. iteration 73: trace = 6.801884543147456 (1.45758e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.801884541782772 (2.00633e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541403598 (5.57454e-09% change) large trace change predicted (1.87293e-08%) linmin: converged after 23 iterations. iteration 76: trace = 6.801884540129683 (1.87289e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.801884539667593 (6.79356e-09% change) linmin: converged after 6 iterations. iteration 78: trace = 6.801884539095309 (8.4136e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.801884538446046 (9.54534e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.801884538249303 (2.89248e-09% change) large trace change predicted (1.023e-08%) linmin: converged after 2 iterations. iteration 81: trace = 6.801884537553462 (1.02301e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.801884537148691 (5.95086e-09% change) linmin: converged after 8 iterations. iteration 83: trace = 6.801884536944494 (3.00207e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536586904 (5.25721e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.801884536358221 (3.36205e-09% change) linmin: converged after 4 iterations. iteration 86: trace = 6.801884536234086 (1.82501e-09% change) linmin: converged after 8 iterations. iteration 87: trace = 6.801884536095195 (2.04194e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 6.801884536052637 (6.25679e-10% change) large trace change predicted (1.79412e-09%) linmin: converged after 4 iterations. iteration 89: trace = 6.801884535930601 (1.79416e-09% change) linmin: converged after 26 iterations. iteration 90: trace = 6.801884535884748 (6.7411e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.801884535815415 (1.01933e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535777037 (5.64216e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 6.801884535764051 (1.90919e-10% change) large trace change predicted (4.6689e-10%) linmin: converged after 5 iterations. iteration 94: trace = 6.801884535732288 (4.66974e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535721957 (1.51889e-10% change) linmin: converged after 3 iterations. iteration 96: trace = 6.801884535707535 (2.12033e-10% change) linmin: converged after 8 iterations. iteration 97: trace = 6.801884535691776 (2.31685e-10% change) linmin: converged after 6 iterations. iteration 98: trace = 6.801884535685708 (8.92111e-11% change) Finished solving for bands 1 to 8 after 98 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: 0.9105768203735352 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925881945166394 (0.0869806% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922622251317 (0.0427376% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648546548471 (0.0328539% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688735465869 (0.0138698% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278638786121 (0.00592669% change) large trace change predicted (0.0145666%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274838915251 (0.0145083% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573045157134 (0.0101446% change) linmin: converged after 3 iterations. iteration 8: trace = 6.917170462281204 (0.00581988% change) linmin: converged after 5 iterations. iteration 9: trace = 6.916380886664652 (0.0114154% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938497784682 (0.00639645% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627908644204 (0.00449102% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057608584958 (0.00824688% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570537849861 (0.00704387% change) linmin: converged after 4 iterations. iteration 14: trace = 6.91442342821189 (0.00212755% change) large trace change predicted (0.00433708%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122174618281 (0.00435698% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960751624012 (0.00233471% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682840031924 (0.00401965% change) linmin: converged after 3 iterations. iteration 18: trace = 6.913569635201844 (0.00163742% change) linmin: converged after 3 iterations. iteration 19: trace = 6.91334359721164 (0.00326954% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913263589216449 (0.0011573% change) linmin: converged after 4 iterations. iteration 21: trace = 6.913199882256624 (0.000921522% change) linmin: converged after 3 iterations. iteration 22: trace = 6.913142143142323 (0.000835204% change) linmin: converged after 19 iterations. iteration 23: trace = 6.913116814560198 (0.000366384% change) linmin: converged after 3 iterations. iteration 24: trace = 6.913090549218405 (0.000379936% change) linmin: converged after 4 iterations. iteration 25: trace = 6.913047124951073 (0.000628147% change) linmin: converged after 3 iterations. iteration 26: trace = 6.913022320738369 (0.000358804% change) linmin: converged after 5 iterations. iteration 27: trace = 6.913001679864522 (0.00029858% change) linmin: converged after 10 iterations. iteration 28: trace = 6.912977940703101 (0.000343399% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912972407131289 (8.00462e-05% change) large trace change predicted (0.000197747%) linmin: converged after 3 iterations. iteration 30: trace = 6.912958741237121 (0.000197685% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946637811492 (0.000175083% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912941281444367 (7.74832e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.912933464859453 (0.000113072% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927788913485 (8.21062e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925544168284 (3.24717e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923366935686 (3.14951e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 6.912920249903997 (4.50899e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91291916841461 (1.56445e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.912917522026622 (2.38161e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.9129163157609 (1.74494e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.912915793518283 (7.55459e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915208292772 (8.46568e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914546921171 (9.56719e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914253923473 (4.23841e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913754412296 (7.22577e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 6.91291316842729 (8.47667e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912906074664 (3.79511e-06% change) linmin: converged after 4 iterations. iteration 48: trace = 6.912912672914575 (3.37282e-06% change) linmin: converged after 4 iterations. iteration 49: trace = 6.912912526471104 (2.1184e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.912912448043808 (1.1345e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912301463354 (2.12039e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.912912142166582 (2.30434e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.912912097378358 (6.47892e-07% change) large trace change predicted (1.43005e-06%) linmin: converged after 2 iterations. iteration 54: trace = 6.912911998514376 (1.43014e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 6.91291194085921 (8.34021e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911893249286 (6.8871e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.912911839152126 (7.82552e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.91291178770364 (7.44238e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 6.912911775782272 (1.72451e-07% change) large trace change predicted (3.81169e-07%) linmin: converged after 2 iterations. iteration 60: trace = 6.91291174943234 (3.8117e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.912911730960385 (2.67209e-07% change) linmin: converged after 6 iterations. iteration 62: trace = 6.912911716914837 (2.03178e-07% change) large trace change predicted (5.40667e-07%) linmin: converged after 6 iterations. iteration 63: trace = 6.912911679541423 (5.40632e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.912911660329251 (2.77917e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.912911648115458 (1.76681e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911634452548 (1.97643e-07% change) linmin: converged after 2 iterations. iteration 67: trace = 6.912911618975165 (2.23891e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.912911609250653 (1.40672e-07% change) large trace change predicted (5.28884e-07%) linmin: converged after 3 iterations. iteration 69: trace = 6.912911572687497 (5.28911e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291155047717 (3.21288e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.91291153823109 (1.77148e-07% change) linmin: converged after 10 iterations. iteration 72: trace = 6.912911517012691 (3.06939e-07% change) large trace change predicted (6.17651e-07%) linmin: converged after 5 iterations. iteration 73: trace = 6.912911474318189 (6.17605e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911433825558 (5.85754e-07% change) large trace change predicted (6.10268e-06%) linmin: converged after 5 iterations. iteration 75: trace = 6.912911011595972 (6.10784e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 76: trace = 6.909424565462741 (0.0504466% change) linmin: converged after 4 iterations. iteration 77: trace = 6.909424112269193 (6.55906e-06% change) linmin: converged after 6 iterations. iteration 78: trace = 6.909423660739337 (6.53499e-06% change) linmin: converged after 5 iterations. iteration 79: trace = 6.909423210949801 (6.5098e-06% change) linmin: converged after 5 iterations. iteration 80: trace = 6.909422762946159 (6.48395e-06% change) linmin: converged after 4 iterations. iteration 81: trace = 6.909422316770079 (6.4575e-06% change) linmin: converged after 5 iterations. iteration 82: trace = 6.909421872459432 (6.4305e-06% change) linmin: converged after 6 iterations. iteration 83: trace = 6.909421430048506 (6.40301e-06% change) linmin: converged after 11 iterations. iteration 84: trace = 6.909420989568189 (6.37507e-06% change) linmin: converged after 7 iterations. iteration 85: trace = 6.909420551046106 (6.34673e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.90942011450683 (6.31803e-06% change) linmin: converged after 8 iterations. iteration 87: trace = 6.909419679972022 (6.28902e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 6.909419247460619 (6.25974e-06% change) linmin: converged after 8 iterations. iteration 89: trace = 6.909418816988931 (6.23022e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.909418388570877 (6.20049e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 6.90941796221804 (6.1706e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 6.90941753793986 (6.14058e-06% change) linmin: converged after 7 iterations. iteration 93: trace = 6.909417115743762 (6.11044e-06% change) linmin: converged after 6 iterations. iteration 94: trace = 6.909416695603382 (6.08069e-06% change) linmin: converged after 7 iterations. iteration 95: trace = 6.909416277586244 (6.04996e-06% change) linmin: converged after 14 iterations. iteration 96: trace = 6.909415861662534 (6.01967e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 6.909415447824051 (5.98949e-06% change) linmin: converged after 6 iterations. iteration 98: trace = 6.909415036087386 (5.95907e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 6.909414626441516 (5.92881e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 6.909414218882954 (5.8986e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.909413813407026 (5.86846e-06% change) linmin: converged after 4 iterations. iteration 102: trace = 6.909413410007976 (5.8384e-06% change) linmin: converged after 7 iterations. iteration 103: trace = 6.909413008679067 (5.80844e-06% change) linmin: converged after 6 iterations. iteration 104: trace = 6.909412609391073 (5.7789e-06% change) linmin: converged after 7 iterations. iteration 105: trace = 6.909412212178595 (5.74886e-06% change) linmin: converged after 19 iterations. iteration 106: trace = 6.909411817010766 (5.71927e-06% change) linmin: converged after 19 iterations. iteration 107: trace = 6.909411423877527 (5.68982e-06% change) linmin: converged after 7 iterations. iteration 108: trace = 6.909411032765863 (5.66056e-06% change) linmin: converged after 7 iterations. iteration 109: trace = 6.909410643669212 (5.6314e-06% change) linmin: converged after 4 iterations. iteration 110: trace = 6.909410256553561 (5.60273e-06% change) linmin: converged after 8 iterations. iteration 111: trace = 6.90940987144614 (5.57367e-06% change) linmin: converged after 8 iterations. iteration 112: trace = 6.909409488314355 (5.54507e-06% change) linmin: converged after 10 iterations. iteration 113: trace = 6.909409107144961 (5.51667e-06% change) linmin: converged after 5 iterations. iteration 114: trace = 6.909408727924342 (5.48847e-06% change) linmin: converged after 10 iterations. iteration 115: trace = 6.909408350638603 (5.46046e-06% change) linmin: converged after 4 iterations. iteration 116: trace = 6.909407975257016 (5.43291e-06% change) linmin: converged after 12 iterations. iteration 117: trace = 6.909407601797998 (5.40508e-06% change) linmin: converged after 5 iterations. iteration 118: trace = 6.909407230230229 (5.37771e-06% change) linmin: converged after 4 iterations. iteration 119: trace = 6.909406860538929 (5.35055e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909406492708912 (5.32361e-06% change) linmin: converged after 12 iterations. iteration 121: trace = 6.909406126724837 (5.2969e-06% change) linmin: converged after 11 iterations. iteration 122: trace = 6.909405762571294 (5.2704e-06% change) linmin: converged after 12 iterations. iteration 123: trace = 6.909405400219968 (5.24432e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909405039667997 (5.21828e-06% change) linmin: converged after 7 iterations. iteration 125: trace = 6.90940468091248 (5.19228e-06% change) linmin: converged after 5 iterations. iteration 126: trace = 6.90940432392487 (5.16669e-06% change) linmin: converged after 9 iterations. iteration 127: trace = 6.909403968689348 (5.14133e-06% change) linmin: converged after 8 iterations. iteration 128: trace = 6.909403615178833 (5.11637e-06% change) linmin: converged after 8 iterations. iteration 129: trace = 6.909403263400033 (5.0913e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909402913315462 (5.06678e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.909402564930097 (5.04219e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 6.909402218217745 (5.01798e-06% change) linmin: converged after 6 iterations. iteration 133: trace = 6.90940187316265 (4.99399e-06% change) linmin: converged after 9 iterations. iteration 134: trace = 6.909401529739763 (4.97037e-06% change) linmin: converged after 9 iterations. iteration 135: trace = 6.909401187946072 (4.94679e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909400847768731 (4.9234e-06% change) linmin: converged after 10 iterations. iteration 137: trace = 6.909400509177654 (4.90044e-06% change) linmin: converged after 7 iterations. iteration 138: trace = 6.909400172173942 (4.87747e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909399836734638 (4.85483e-06% change) resetting CG direction... large trace change predicted (0.171559%) linmin: converged after 4 iterations. iteration 140: trace = 6.897652978289567 (0.170157% change) linmin: converged after 3 iterations. iteration 141: trace = 6.885039329219592 (0.183036% change) linmin: converged after 4 iterations. iteration 142: trace = 6.87341789696365 (0.168935% change) linmin: converged after 3 iterations. iteration 143: trace = 6.867545046519159 (0.0854795% change) linmin: converged after 4 iterations. iteration 144: trace = 6.857777295795607 (0.142332% change) linmin: converged after 4 iterations. iteration 145: trace = 6.846981006010334 (0.157555% change) linmin: converged after 4 iterations. iteration 146: trace = 6.83980174795395 (0.104908% change) large trace change predicted (0.285316%) linmin: converged after 7 iterations. iteration 147: trace = 6.820900504795845 (0.276724% change) linmin: converged after 4 iterations. iteration 148: trace = 6.80839986640267 (0.183438% change) linmin: converged after 4 iterations. iteration 149: trace = 6.802507153151064 (0.0865881% change) large trace change predicted (0.194327%) linmin: converged after 4 iterations. iteration 150: trace = 6.789451397678489 (0.19211% change) linmin: converged after 4 iterations. iteration 151: trace = 6.781131516090769 (0.122616% change) linmin: converged after 4 iterations. iteration 152: trace = 6.770391626450627 (0.158505% change) linmin: converged after 5 iterations. iteration 153: trace = 6.754746263257847 (0.231352% change) linmin: converged after 4 iterations. iteration 154: trace = 6.748941012392554 (0.0859802% change) linmin: converged after 4 iterations. iteration 155: trace = 6.738166008918249 (0.159782% change) linmin: converged after 4 iterations. iteration 156: trace = 6.73273524060825 (0.0806296% change) linmin: converged after 4 iterations. iteration 157: trace = 6.72650123041609 (0.0926354% change) linmin: converged after 4 iterations. iteration 158: trace = 6.720299903180448 (0.092235% change) linmin: converged after 4 iterations. iteration 159: trace = 6.716712132603927 (0.0534013% change) linmin: converged after 4 iterations. iteration 160: trace = 6.710659400996347 (0.0901551% change) linmin: converged after 3 iterations. iteration 161: trace = 6.707858723567684 (0.0417435% change) linmin: converged after 4 iterations. iteration 162: trace = 6.703522741611503 (0.0646612% change) linmin: converged after 4 iterations. iteration 163: trace = 6.700231133394561 (0.0491147% change) linmin: converged after 3 iterations. iteration 164: trace = 6.698178934496738 (0.0306335% change) linmin: converged after 3 iterations. iteration 165: trace = 6.694876272390519 (0.049319% change) linmin: converged after 4 iterations. iteration 166: trace = 6.693268368262551 (0.0240198% change) linmin: converged after 4 iterations. iteration 167: trace = 6.690884815577234 (0.0356175% change) linmin: converged after 3 iterations. iteration 168: trace = 6.689373984685802 (0.022583% change) linmin: converged after 3 iterations. iteration 169: trace = 6.688264780160361 (0.016583% change) linmin: converged after 3 iterations. iteration 170: trace = 6.687013020801666 (0.0187175% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68629715806854 (0.0107058% change) linmin: converged after 3 iterations. iteration 172: trace = 6.685094847759813 (0.0179833% change) linmin: converged after 3 iterations. iteration 173: trace = 6.684317140834377 (0.0116341% change) linmin: converged after 3 iterations. iteration 174: trace = 6.683709463723595 (0.0090915% change) linmin: converged after 3 iterations. iteration 175: trace = 6.683121281336387 (0.00880063% change) linmin: converged after 3 iterations. iteration 176: trace = 6.682810061404139 (0.00465691% change) linmin: converged after 3 iterations. iteration 177: trace = 6.682375471819539 (0.00650331% change) linmin: converged after 3 iterations. iteration 178: trace = 6.682038531775314 (0.00504235% change) linmin: converged after 3 iterations. iteration 179: trace = 6.681812437068758 (0.00338368% change) linmin: converged after 3 iterations. iteration 180: trace = 6.681571726892325 (0.00360253% change) linmin: converged after 3 iterations. iteration 181: trace = 6.681433679519519 (0.00206611% change) linmin: converged after 3 iterations. iteration 182: trace = 6.681280480085509 (0.00229294% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681126290827272 (0.00230781% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681006445600771 (0.0017938% change) linmin: converged after 6 iterations. iteration 185: trace = 6.680843926815445 (0.00243258% change) linmin: converged after 3 iterations. iteration 186: trace = 6.680729912368834 (0.0017066% change) linmin: converged after 3 iterations. iteration 187: trace = 6.680620096924427 (0.00164378% change) linmin: converged after 7 iterations. iteration 188: trace = 6.680531423626577 (0.00132733% change) linmin: converged after 6 iterations. iteration 189: trace = 6.680489102948068 (0.000633495% change) linmin: converged after 9 iterations. iteration 190: trace = 6.680436199965561 (0.000791906% change) linmin: converged after 3 iterations. iteration 191: trace = 6.680395583195897 (0.000607998% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680360324246526 (0.000527799% change) linmin: converged after 4 iterations. iteration 193: trace = 6.680308066170741 (0.000782267% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680281631691892 (0.000395708% change) linmin: converged after 4 iterations. iteration 195: trace = 6.680244668546154 (0.000553319% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680213708643309 (0.000463456% change) linmin: converged after 3 iterations. iteration 197: trace = 6.680196907877459 (0.000251501% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680177885893915 (0.000284752% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680168334589277 (0.00014298% change) linmin: converged after 3 iterations. iteration 200: trace = 6.680157431603714 (0.000163214% change) linmin: converged after 4 iterations. iteration 201: trace = 6.680145952930113 (0.000171833% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680137876273302 (0.000120905% change) linmin: converged after 3 iterations. iteration 203: trace = 6.680125329215675 (0.000187827% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680118008383807 (0.000109591% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680111957365059 (9.05826e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680104808337657 (0.00010702% change) linmin: converged after 4 iterations. iteration 207: trace = 6.680101133449405 (5.50124e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680095584518056 (8.30666e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680090985838977 (6.88415e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 6.680088703133368 (3.41718e-05% change) large trace change predicted (7.10661e-05%) linmin: converged after 3 iterations. iteration 211: trace = 6.6800839564098 (7.10578e-05% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680080733805006 (4.8242e-05% change) linmin: converged after 4 iterations. iteration 213: trace = 6.680079090183677 (2.46048e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680076381979664 (4.05415e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 6.680074042999221 (3.50143e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680073438960719 (9.04239e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 6.680072397202671 (1.5595e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680071907798552 (7.32633e-06% change) linmin: converged after 3 iterations. iteration 219: trace = 6.68007167257897 (3.52121e-06% change) large trace change predicted (7.32638e-06%) linmin: converged after 2 iterations. iteration 220: trace = 6.680071183165612 (7.32647e-06% change) linmin: converged after 4 iterations. iteration 221: trace = 6.680070622354844 (8.39528e-06% change) linmin: converged after 3 iterations. iteration 222: trace = 6.680070314544704 (4.60789e-06% change) linmin: converged after 3 iterations. iteration 223: trace = 6.680069856098422 (6.8629e-06% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680069413064077 (6.63218e-06% change) linmin: converged after 2 iterations. iteration 225: trace = 6.680069216769079 (2.93852e-06% change) linmin: converged after 13 iterations. iteration 226: trace = 6.680069100047944 (1.7473e-06% change) linmin: converged after 5 iterations. iteration 227: trace = 6.680068947810606 (2.27898e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 6.680068715453184 (3.47837e-06% change) linmin: converged after 21 iterations. iteration 229: trace = 6.680068643419034 (1.07834e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680068511599541 (1.97333e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 6.680068433452994 (1.16985e-06% change) linmin: converged after 4 iterations. iteration 232: trace = 6.680068406754832 (3.99669e-07% change) linmin: converged after 5 iterations. iteration 233: trace = 6.680068356973184 (7.45227e-07% change) linmin: converged after 5 iterations. iteration 234: trace = 6.680068323179318 (5.05891e-07% change) linmin: converged after 6 iterations. iteration 235: trace = 6.680068301878144 (3.18877e-07% change) linmin: converged after 10 iterations. iteration 236: trace = 6.680068280105003 (3.25942e-07% change) linmin: converged after 3 iterations. iteration 237: trace = 6.680068263018587 (2.55782e-07% change) linmin: converged after 4 iterations. iteration 238: trace = 6.680068256601876 (9.60576e-08% change) large trace change predicted (2.81178e-07%) linmin: converged after 8 iterations. iteration 239: trace = 6.680068237819902 (2.81164e-07% change) linmin: converged after 8 iterations. iteration 240: trace = 6.68006822729089 (1.57618e-07% change) linmin: converged after 4 iterations. iteration 241: trace = 6.680068220398821 (1.03174e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.680068212906987 (1.12152e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068207255777 (8.45981e-08% change) linmin: converged after 8 iterations. iteration 244: trace = 6.680068203941881 (4.96087e-08% change) linmin: converged after 8 iterations. iteration 245: trace = 6.680068197830788 (9.14825e-08% change) linmin: converged after 16 iterations. iteration 246: trace = 6.680068193076785 (7.1167e-08% change) linmin: converged after 23 iterations. iteration 247: trace = 6.680068187858188 (7.81219e-08% change) linmin: converged after 8 iterations. iteration 248: trace = 6.68006818645457 (2.1012e-08% change) linmin: converged after 5 iterations. iteration 249: trace = 6.680068184032023 (3.62653e-08% change) linmin: converged after 4 iterations. iteration 250: trace = 6.680068182466149 (2.3441e-08% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068181714622 (1.12503e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068180781509 (1.39686e-08% change) linmin: converged after 4 iterations. iteration 253: trace = 6.680068180189311 (8.86515e-09% change) linmin: converged after 4 iterations. iteration 254: trace = 6.68006817970184 (7.2974e-09% change) linmin: converged after 4 iterations. iteration 255: trace = 6.68006817902792 (1.00885e-08% change) linmin: converged after 4 iterations. iteration 256: trace = 6.680068178440279 (8.79693e-09% change) linmin: converged after 4 iterations. iteration 257: trace = 6.680068178172974 (4.00154e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068177878976 (4.40112e-09% change) linmin: converged after 7 iterations. iteration 259: trace = 6.680068177669384 (3.13756e-09% change) linmin: converged after 15 iterations. iteration 260: trace = 6.680068177591161 (1.171e-09% change) linmin: converged after 6 iterations. iteration 261: trace = 6.680068177474713 (1.74321e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068177340053 (2.01585e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177295012 (6.74264e-10% change) linmin: converged after 18 iterations. iteration 264: trace = 6.680068177220694 (1.11253e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177163305 (8.59118e-10% change) linmin: converged after 3 iterations. iteration 266: trace = 6.680068177145143 (2.71876e-10% change) linmin: converged after 7 iterations. iteration 267: trace = 6.680068177125674 (2.9146e-10% change) linmin: converged after 2 iterations. iteration 268: trace = 6.68006817710719 (2.76702e-10% change) linmin: converged after 4 iterations. iteration 269: trace = 6.680068177099285 (1.18334e-10% change) linmin: converged after 3 iterations. iteration 270: trace = 6.680068177090239 (1.35419e-10% change) linmin: converged after 15 iterations. iteration 271: trace = 6.680068177079239 (1.6467e-10% change) linmin: converged after 6 iterations. iteration 272: trace = 6.680068177074701 (6.7929e-11% change) Finished solving for bands 1 to 8 after 272 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 2.7793397903442383 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587573122519 (0.0686633% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159904249493 (0.0665577% change) linmin: converged after 4 iterations. iteration 3: trace = 6.64817933961442 (0.0297866% change) linmin: converged after 4 iterations. iteration 4: trace = 6.647534340257184 (0.00970237% change) linmin: converged after 3 iterations. iteration 5: trace = 6.646966782445022 (0.00853823% change) linmin: converged after 5 iterations. iteration 6: trace = 6.645994158365157 (0.0146337% change) linmin: converged after 3 iterations. iteration 7: trace = 6.645304853054585 (0.0103723% change) linmin: converged after 3 iterations. iteration 8: trace = 6.644933169266914 (0.00559334% change) linmin: converged after 3 iterations. iteration 9: trace = 6.644423423713329 (0.00767149% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201231775944 (0.00334409% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990388170658 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843621530115 (0.00220904% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564807574517 (0.00419666% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279732493866 (0.00429109% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071641547495 (0.0031324% change) linmin: converged after 4 iterations. iteration 16: trace = 6.642974804844343 (0.00145772% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909156131693 (0.000988248% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890199106453 (0.000285373% change) linmin: converged after 3 iterations. iteration 19: trace = 6.64286887191196 (0.000321053% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841266366964 (0.000415567% change) linmin: converged after 4 iterations. iteration 21: trace = 6.642822913932959 (0.000276274% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067982839 (0.00026865% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791441337097 (0.000205134% change) linmin: converged after 3 iterations. iteration 24: trace = 6.642785630038742 (8.74828e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972613445 (4.00047e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.642780012222963 (4.45655e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 6.642778218976454 (2.69954e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 6.642777034969725 (1.7824e-05% change) large trace change predicted (3.72589e-05%) linmin: converged after 3 iterations. iteration 29: trace = 6.642774560941333 (3.72439e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.64277363390894 (1.39555e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723076154 (1.37116e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828483701 (1.34672e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.64277087602821 (1.43382e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554643508 (4.83811e-06% change) linmin: converged after 4 iterations. iteration 35: trace = 6.642770128583622 (6.41389e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.642769885932965 (3.65285e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.642769776833558 (1.64238e-06% change) linmin: converged after 2 iterations. iteration 38: trace = 6.642769636216307 (2.11685e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952992634 (1.60009e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.642769482486978 (7.1415e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.642769417349557 (9.80576e-07% change) linmin: converged after 6 iterations. iteration 42: trace = 6.642769380738964 (5.51134e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352488211 (4.25286e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 6.642769335019736 (2.6297e-07% change) linmin: converged after 17 iterations. iteration 45: trace = 6.642769308440136 (4.00128e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 6.642769295934285 (1.88263e-07% change) linmin: converged after 8 iterations. iteration 47: trace = 6.642769286194392 (1.46624e-07% change) linmin: converged after 3 iterations. iteration 48: trace = 6.64276927811748 (1.2159e-07% change) linmin: converged after 4 iterations. iteration 49: trace = 6.642769268854135 (1.3945e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264705972 (6.24463e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 6.642769258377931 (9.52621e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 6.642769254969507 (5.13103e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253546399 (2.14234e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.642769251336219 (3.3272e-08% change) linmin: converged after 6 iterations. iteration 55: trace = 6.642769250182322 (1.73707e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249416307 (1.15316e-08% change) linmin: converged after 8 iterations. iteration 57: trace = 6.642769248108684 (1.96849e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.642769246952622 (1.74033e-08% change) linmin: converged after 16 iterations. iteration 59: trace = 6.642769246582437 (5.57276e-09% change) linmin: converged after 5 iterations. iteration 60: trace = 6.642769246057071 (7.90883e-09% change) linmin: converged after 3 iterations. iteration 61: trace = 6.6427692457994 (3.87897e-09% change) linmin: converged after 25 iterations. iteration 62: trace = 6.642769245599802 (3.00474e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 6.642769245362778 (3.56815e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245061803 (4.53087e-09% change) linmin: converged after 4 iterations. iteration 65: trace = 6.642769244981227 (1.21299e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.642769244866634 (1.72508e-09% change) linmin: converged after 7 iterations. iteration 67: trace = 6.642769244789068 (1.16768e-09% change) linmin: converged after 15 iterations. iteration 68: trace = 6.64276924474262 (6.99216e-10% change) linmin: converged after 12 iterations. iteration 69: trace = 6.642769244698233 (6.68209e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.642769244674341 (3.59669e-10% change) linmin: converged after 4 iterations. iteration 71: trace = 6.642769244658872 (2.32862e-10% change) linmin: converged after 4 iterations. iteration 72: trace = 6.642769244638265 (3.10225e-10% change) linmin: converged after 8 iterations. iteration 73: trace = 6.642769244619616 (2.80743e-10% change) linmin: converged after 13 iterations. iteration 74: trace = 6.642769244610096 (1.43306e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 6.642769244598662 (1.72133e-10% change) linmin: converged after 6 iterations. iteration 76: trace = 6.64276924458271 (2.40136e-10% change) linmin: converged after 5 iterations. iteration 77: trace = 6.642769244577109 (8.4315e-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: 0.7154698371887207 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.687429305956399 (0.117812% change) linmin: converged after 3 iterations. iteration 2: trace = 6.682647175462902 (0.0715348% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627783984919 (0.0451928% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424630603433 (0.0779262% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593990120082 (0.0574093% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532718446954 (0.015911% change) linmin: converged after 4 iterations. iteration 7: trace = 6.66869894718369 (0.012502% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450153670766 (0.0187279% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854300201082 (0.00893715% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666561037605901 (0.00439891% change) large trace change predicted (0.0103223%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873870109113 (0.0103082% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665344244316964 (0.00794565% change) linmin: converged after 3 iterations. iteration 13: trace = 6.664960979179331 (0.00575028% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471828936417 (0.0073394% change) linmin: converged after 4 iterations. iteration 15: trace = 6.664343420061574 (0.00192679% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235429478922 (0.00162044% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099944556835 (0.00203304% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928209471408 (0.00257705% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861678757339 (0.000998376% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812766232749 (0.000733999% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735499911803 (0.0011595% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674641506083 (0.000913282% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634520702517 (0.000602084% change) linmin: converged after 4 iterations. iteration 24: trace = 6.663593038531264 (0.000622518% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573599122129 (0.000291726% change) linmin: converged after 3 iterations. iteration 26: trace = 6.66356403049619 (0.000143596% change) linmin: converged after 3 iterations. iteration 27: trace = 6.663549047996414 (0.000224842% change) linmin: converged after 5 iterations. iteration 28: trace = 6.663543238873855 (8.71776e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539634606396 (5.40894e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536021305242 (5.4225e-05% change) large trace change predicted (0.00012694%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527560261297 (0.000126975% change) linmin: converged after 5 iterations. iteration 32: trace = 6.663522794087866 (7.15263e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519836310808 (4.43876e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516772577997 (4.59777e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.663513847271819 (4.39003e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.663512815247799 (1.54877e-05% change) large trace change predicted (3.44353e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.663510520432134 (3.44385e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509474462663 (1.5697e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905966249 (6.22495e-06% change) large trace change predicted (1.53264e-05%) linmin: converged after 3 iterations. iteration 40: trace = 6.663508038316297 (1.53275e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.66350736286073 (1.01366e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.663506895450755 (7.01447e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558365472 (5.05868e-06% change) linmin: converged after 14 iterations. iteration 44: trace = 6.663506414081465 (2.16529e-06% change) linmin: converged after 4 iterations. iteration 45: trace = 6.663506331128013 (1.24489e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506214679603 (1.74755e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.663506039781796 (2.62471e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.663505983865604 (8.39141e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.663505907362557 (1.14809e-06% change) linmin: converged after 3 iterations. iteration 50: trace = 6.663505850976461 (8.46193e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 6.663505805256389 (6.86126e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 6.663505790495616 (2.21517e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 6.663505766521728 (3.59779e-07% change) linmin: converged after 3 iterations. iteration 54: trace = 6.663505741493429 (3.75603e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 6.663505723708583 (2.66899e-07% change) linmin: converged after 6 iterations. iteration 56: trace = 6.663505707374657 (2.45125e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.663505697253544 (1.51889e-07% change) linmin: converged after 10 iterations. iteration 58: trace = 6.663505694675289 (3.86922e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691925406 (4.12678e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.663505688934521 (4.48846e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686194762 (4.11159e-08% change) linmin: converged after 3 iterations. iteration 62: trace = 6.663505684948748 (1.86991e-08% change) linmin: converged after 2 iterations. iteration 63: trace = 6.663505683327017 (2.43375e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 6.663505682009446 (1.97729e-08% change) linmin: converged after 27 iterations. iteration 65: trace = 6.663505681307226 (1.05383e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.663505680001218 (1.95994e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.663505679185746 (1.22379e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.663505678750426 (6.53289e-09% change) linmin: converged after 17 iterations. iteration 69: trace = 6.663505678470138 (4.20632e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.663505678325622 (2.16876e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.663505678226683 (1.4848e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094008 (1.99106e-09% change) linmin: converged after 5 iterations. iteration 73: trace = 6.663505677965946 (1.92184e-09% change) linmin: converged after 4 iterations. iteration 74: trace = 6.663505677909037 (8.54042e-10% change) linmin: converged after 2 iterations. iteration 75: trace = 6.663505677805692 (1.55091e-09% change) linmin: converged after 3 iterations. iteration 76: trace = 6.663505677741578 (9.62167e-10% change) linmin: converged after 12 iterations. iteration 77: trace = 6.663505677713006 (4.2878e-10% change) linmin: converged after 16 iterations. iteration 78: trace = 6.663505677677895 (5.26922e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642752 (5.27388e-10% change) linmin: converged after 6 iterations. iteration 80: trace = 6.663505677622116 (3.09686e-10% change) linmin: converged after 6 iterations. iteration 81: trace = 6.663505677595331 (4.01976e-10% change) linmin: converged after 16 iterations. iteration 82: trace = 6.663505677568759 (3.98764e-10% change) linmin: converged after 20 iterations. iteration 83: trace = 6.66350567754833 (3.0658e-10% change) linmin: converged after 11 iterations. iteration 84: trace = 6.663505677537476 (1.62894e-10% change) linmin: converged after 2 iterations. iteration 85: trace = 6.663505677527905 (1.43633e-10% change) linmin: converged after 4 iterations. iteration 86: trace = 6.663505677520184 (1.15869e-10% change) linmin: converged after 8 iterations. iteration 87: trace = 6.663505677515148 (7.55754e-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: 0.8076388835906982 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447359971895 (0.144042% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974024659761 (0.0960263% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141754474807 (0.0865957% change) linmin: converged after 5 iterations. iteration 4: trace = 6.724828803653625 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.72143424790378 (0.0504907% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207145419 (0.0367852% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543136038168 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463671914691 (0.0160706% change) linmin: converged after 4 iterations. iteration 9: trace = 6.715767541158287 (0.0103651% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605752188548 (0.0173009% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521978816519 (0.0161418% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581835014596 (0.0140047% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589814498345 (0.0147796% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907670004979 (0.0101642% change) linmin: converged after 3 iterations. iteration 15: trace = 6.710743952084959 (0.00243961% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647161689 (0.00478803% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149733899291 (0.00406709% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926494485495 (0.00332695% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615222665303 (0.00463908% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383090552034 (0.00345975% change) linmin: converged after 3 iterations. iteration 21: trace = 6.709272388766403 (0.00164997% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433445125 (0.00160906% change) linmin: converged after 10 iterations. iteration 23: trace = 6.709082283521091 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040656792649 (0.000620455% change) linmin: converged after 4 iterations. iteration 25: trace = 6.709012986434473 (0.000412435% change) linmin: converged after 3 iterations. iteration 26: trace = 6.708973601366932 (0.000587049% change) linmin: converged after 3 iterations. iteration 27: trace = 6.708949150915179 (0.000364445% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965494712 (0.000141542% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851619964 (0.000265368% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911468768455 (0.000154762% change) linmin: converged after 6 iterations. iteration 31: trace = 6.708903821463915 (0.000113987% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718413401 (0.000150592% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883944682149 (0.000145683% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879439749107 (6.71488e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.708871489188931 (0.000118508% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031130102 (8.13559e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 6.708863196770958 (4.2248e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 6.708860828985114 (3.52934e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.708858447882971 (3.54919e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.70885699794596 (2.16123e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.708854902055639 (3.12407e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.708852610035045 (3.41641e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.708851929322813 (1.01465e-05% change) linmin: converged after 4 iterations. iteration 44: trace = 6.708851237588622 (1.03108e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.708850275561264 (1.43397e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646060286 (9.38314e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882279558 (1.13847e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312871076 (8.48742e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847878953323 (6.46784e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658418017 (3.28723e-06% change) large trace change predicted (7.00898e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188179136 (7.00923e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.708846832162072 (5.30668e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.708846619270108 (3.1733e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 6.708846387813233 (3.45002e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.708846177681899 (3.13215e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.708846099867785 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 6.708845988794608 (1.65562e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.708845926149073 (9.33775e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.70884587183627 (8.0957e-07% change) linmin: converged after 26 iterations. iteration 60: trace = 6.708845822804157 (7.30858e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.70884576034459 (9.31003e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845742996891 (2.58579e-07% change) linmin: converged after 3 iterations. iteration 63: trace = 6.708845724901167 (2.69729e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 6.708845702101603 (3.39843e-07% change) linmin: converged after 2 iterations. iteration 65: trace = 6.708845680315326 (3.2474e-07% change) linmin: converged after 13 iterations. iteration 66: trace = 6.708845664239724 (2.39618e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.708845650775787 (2.00689e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.708845645403097 (8.00837e-08% change) linmin: converged after 3 iterations. iteration 69: trace = 6.708845642039391 (5.01384e-08% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.708845640022239 (3.0067e-08% change) linmin: converged after 36 iterations. iteration 71: trace = 6.70884563767399 (3.50023e-08% change) linmin: converged after 4 iterations. iteration 72: trace = 6.708845634534406 (4.67977e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632985856 (2.30822e-08% change) linmin: converged after 8 iterations. iteration 74: trace = 6.7088456308755 (3.14563e-08% change) linmin: converged after 17 iterations. iteration 75: trace = 6.708845629670239 (1.79653e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753322 (1.36673e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.708845628227755 (7.83394e-09% change) large trace change predicted (2.48453e-08%) linmin: converged after 10 iterations. iteration 78: trace = 6.708845626560922 (2.48453e-08% change) linmin: converged after 4 iterations. iteration 79: trace = 6.70884562540372 (1.72489e-08% change) linmin: converged after 3 iterations. iteration 80: trace = 6.708845624796598 (9.04958e-09% change) linmin: converged after 7 iterations. iteration 81: trace = 6.70884562433551 (6.87284e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.708845623794077 (8.07043e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.70884562339292 (5.97953e-09% change) linmin: converged after 22 iterations. iteration 84: trace = 6.70884562315395 (3.56201e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.7088456228243 (4.91366e-09% change) linmin: converged after 21 iterations. iteration 86: trace = 6.708845622522303 (4.50147e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.708845622387841 (2.00425e-09% change) linmin: converged after 17 iterations. iteration 88: trace = 6.708845622195839 (2.86192e-09% change) linmin: converged after 19 iterations. iteration 89: trace = 6.708845622083533 (1.67399e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 6.708845622026577 (8.48972e-10% change) linmin: converged after 12 iterations. iteration 91: trace = 6.708845621976609 (7.44808e-10% change) linmin: converged after 6 iterations. iteration 92: trace = 6.708845621907416 (1.03136e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.70884562186068 (6.96632e-10% change) linmin: converged after 6 iterations. iteration 94: trace = 6.708845621839375 (3.17575e-10% change) linmin: converged after 2 iterations. iteration 95: trace = 6.708845621811367 (4.17476e-10% change) linmin: converged after 13 iterations. iteration 96: trace = 6.708845621769448 (6.24837e-10% change) linmin: converged after 7 iterations. iteration 97: trace = 6.70884562174561 (3.55319e-10% change) linmin: converged after 6 iterations. iteration 98: trace = 6.708845621735718 (1.47442e-10% change) linmin: converged after 6 iterations. iteration 99: trace = 6.708845621726286 (1.40597e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.708845621714825 (1.70835e-10% change) linmin: converged after 2 iterations. iteration 101: trace = 6.708845621703111 (1.74595e-10% change) linmin: converged after 6 iterations. iteration 102: trace = 6.70884562169679 (9.42214e-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: 0.9468019008636475 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698391578217 (0.215824% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922812470782 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206236072185 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344170585 (0.087978% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899818546556 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681341892097 (0.0328187% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578306723 (0.0235986% change) linmin: converged after 4 iterations. iteration 8: trace = 6.755832134089881 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118423565606 (0.0253696% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749027760502 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302765253391 (0.0362381% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516467481692 (0.0116507% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249194735609 (0.0187803% change) linmin: converged after 3 iterations. iteration 14: trace = 6.74663265920822 (0.009138% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834646331697 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859408429 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977430526032 (0.01639% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390528624715 (0.00870299% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072740334149 (0.0047127% change) linmin: converged after 3 iterations. iteration 20: trace = 6.742715953004208 (0.00529131% change) linmin: converged after 9 iterations. iteration 21: trace = 6.742464080144531 (0.00373555% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330469307667 (0.00198165% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122758732902 (0.00308074% change) linmin: converged after 3 iterations. iteration 24: trace = 6.74200382451574 (0.00176406% change) linmin: converged after 3 iterations. iteration 25: trace = 6.7418810056311 (0.00182171% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398806882 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598839732 (0.00242965% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235936287 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464335579 (0.00170248% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264132621 (0.00187204% change) linmin: converged after 4 iterations. iteration 31: trace = 6.741141887920388 (0.00178568% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091943470374 (0.000740893% change) large trace change predicted (0.00157115%) linmin: converged after 4 iterations. iteration 33: trace = 6.740986066721391 (0.00157063% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890542596916 (0.00141707% change) linmin: converged after 3 iterations. iteration 35: trace = 6.740821375488659 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.74073762462469 (0.00124245% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829671653 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883992817 (0.000473926% change) linmin: converged after 4 iterations. iteration 39: trace = 6.740602082619533 (0.000412446% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553728091 (0.000467747% change) linmin: converged after 6 iterations. iteration 41: trace = 6.740536129930133 (0.000510697% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511930602394 (0.000359013% change) linmin: converged after 4 iterations. iteration 43: trace = 6.740477773388419 (0.000506746% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464320637439 (0.000199582% change) linmin: converged after 3 iterations. iteration 45: trace = 6.740454926632754 (0.000139367% change) linmin: converged after 4 iterations. iteration 46: trace = 6.740442911251048 (0.000178258% change) linmin: converged after 3 iterations. iteration 47: trace = 6.740433216316791 (0.000143832% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427221265035 (8.89417e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.74042238575644 (7.17389e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.740416728466946 (8.39308e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414142891034 (3.83593e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411994953596 (3.18666e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269344659 (4.04368e-05% change) linmin: converged after 12 iterations. iteration 54: trace = 6.740406804364586 (3.65702e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.740405527546702 (1.89427e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.74040426684315 (1.87037e-05% change) linmin: converged after 5 iterations. iteration 57: trace = 6.740403728307947 (7.98966e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.740403437947705 (4.30776e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943743944 (7.33196e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141496035 (1.19021e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 6.740401774126259 (5.45027e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 6.740401383615917 (5.79358e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 6.740401213259439 (2.52739e-06% change) linmin: converged after 2 iterations. iteration 64: trace = 6.740401083221066 (1.92924e-06% change) linmin: converged after 3 iterations. iteration 65: trace = 6.740400960783184 (1.81648e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775675924 (2.74624e-06% change) linmin: converged after 8 iterations. iteration 67: trace = 6.740400708048025 (1.00332e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.740400660033448 (7.1234e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.74040062253303 (5.56353e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.740400603093034 (2.8841e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.74040058720972 (2.35643e-07% change) linmin: converged after 2 iterations. iteration 72: trace = 6.740400563936015 (3.45287e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 6.740400533801385 (4.47075e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.7404005215132 (1.82306e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 6.740400502320862 (2.84736e-07% change) linmin: converged after 14 iterations. iteration 76: trace = 6.740400485751959 (2.45815e-07% change) linmin: converged after 5 iterations. iteration 77: trace = 6.74040046831837 (2.58643e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 6.740400451022672 (2.56597e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.740400430655498 (3.02166e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041959797 (1.64049e-07% change) linmin: converged after 31 iterations. iteration 81: trace = 6.74040041150471 (1.20071e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400766657 (1.59309e-07% change) linmin: converged after 8 iterations. iteration 83: trace = 6.740400386869428 (2.06178e-07% change) linmin: converged after 29 iterations. iteration 84: trace = 6.74040037625822 (1.57427e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 6.740400359182241 (2.53338e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 6.740400345747029 (1.99324e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 6.740400338467183 (1.08003e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 6.740400333642487 (7.15788e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 6.740400326300922 (1.08919e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.740400316334753 (1.47857e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308677787 (1.13598e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 6.740400300058289 (1.27878e-07% change) linmin: converged after 18 iterations. iteration 93: trace = 6.740400294141733 (8.77775e-08% change) linmin: converged after 14 iterations. iteration 94: trace = 6.740400290935205 (4.75718e-08% change) linmin: converged after 7 iterations. iteration 95: trace = 6.740400289524171 (2.0934e-08% change) large trace change predicted (5.32113e-08%) linmin: converged after 9 iterations. iteration 96: trace = 6.740400285937485 (5.32118e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.740400283462904 (3.67127e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281355695 (3.12624e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.740400280382704 (1.44352e-08% change) linmin: converged after 9 iterations. iteration 100: trace = 6.74040027963949 (1.10263e-08% change) linmin: converged after 30 iterations. iteration 101: trace = 6.740400278724339 (1.35771e-08% change) linmin: converged after 10 iterations. iteration 102: trace = 6.740400277951347 (1.1468e-08% change) linmin: converged after 6 iterations. iteration 103: trace = 6.740400277231519 (1.06793e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.740400276419854 (1.20418e-08% change) linmin: converged after 6 iterations. iteration 105: trace = 6.74040027580643 (9.10071e-09% change) linmin: converged after 21 iterations. iteration 106: trace = 6.740400275616353 (2.81997e-09% change) linmin: converged after 11 iterations. iteration 107: trace = 6.740400275292897 (4.79876e-09% change) linmin: converged after 11 iterations. iteration 108: trace = 6.740400275009887 (4.19871e-09% change) linmin: converged after 14 iterations. iteration 109: trace = 6.740400274848406 (2.39571e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 6.740400274712557 (2.01545e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 6.740400274636092 (1.13443e-09% change) linmin: converged after 18 iterations. iteration 112: trace = 6.740400274541143 (1.40865e-09% change) linmin: converged after 28 iterations. iteration 113: trace = 6.740400274508116 (4.89984e-10% change) linmin: converged after 8 iterations. iteration 114: trace = 6.740400274462253 (6.80418e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 6.740400274397276 (9.63998e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274349094 (7.14823e-10% change) linmin: converged after 10 iterations. iteration 117: trace = 6.740400274328298 (3.08525e-10% change) linmin: converged after 4 iterations. iteration 118: trace = 6.740400274300244 (4.16207e-10% change) linmin: converged after 12 iterations. iteration 119: trace = 6.740400274275677 (3.64474e-10% change) linmin: converged after 10 iterations. iteration 120: trace = 6.740400274262256 (1.99117e-10% change) linmin: converged after 17 iterations. iteration 121: trace = 6.740400274248214 (2.08327e-10% change) linmin: converged after 6 iterations. iteration 122: trace = 6.740400274235902 (1.82659e-10% change) linmin: converged after 8 iterations. iteration 123: trace = 6.740400274230594 (7.87454e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 1.2354846000671387 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787869242890289 (0.213561% change) linmin: converged after 3 iterations. iteration 2: trace = 6.77602214550889 (0.174686% change) linmin: converged after 3 iterations. iteration 3: trace = 6.769929072837865 (0.0899615% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085868787282 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298913866908 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340708432851 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043730634963 (0.0487597% change) linmin: converged after 5 iterations. iteration 8: trace = 6.757627116536565 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119990170901 (0.0519123% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635260791113 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275842488419 (0.034952% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513910451915 (0.0112897% change) large trace change predicted (0.0342015%) linmin: converged after 3 iterations. iteration 13: trace = 6.7461827723057 (0.034549% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300844557924 (0.0279001% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003462976347 (0.0340698% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281210740379 (0.0255484% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215678864513 (0.0158097% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862084352689 (0.00524696% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332337047897 (0.00786139% change) linmin: converged after 3 iterations. iteration 20: trace = 6.737625978162966 (0.0104832% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211470339117 (0.00615232% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596721804156 (0.00912509% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116019940281 (0.00713593% change) linmin: converged after 3 iterations. iteration 24: trace = 6.735569722531647 (0.00811031% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310735609268 (0.00384514% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879751518213 (0.00639908% change) linmin: converged after 4 iterations. iteration 27: trace = 6.73439321725864 (0.00722436% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901754021082 (0.00729808% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209915317009 (0.0102745% change) linmin: converged after 4 iterations. iteration 30: trace = 6.732349671849295 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.73192196722016 (0.00635318% change) linmin: converged after 3 iterations. iteration 32: trace = 6.731461171023001 (0.00684518% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024336694567 (0.00648965% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758301172933 (0.00395246% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487938516495 (0.0040169% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155605942057 (0.00493784% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721062942211 (0.00645686% change) linmin: converged after 4 iterations. iteration 38: trace = 6.729527810669737 (0.00287167% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325310062266 (0.00300918% change) linmin: converged after 4 iterations. iteration 40: trace = 6.72923882708175 (0.00128517% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183792304585 (0.000817849% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120125419362 (0.000946135% change) linmin: converged after 4 iterations. iteration 43: trace = 6.72901704436889 (0.00153188% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962333858583 (0.000813057% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906727556348 (0.000826376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.728867498985152 (0.000582988% change) linmin: converged after 10 iterations. iteration 47: trace = 6.728848431917078 (0.000283363% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839598210339 (0.000131281% change) linmin: converged after 3 iterations. iteration 49: trace = 6.728828038065969 (0.0001718% change) linmin: converged after 4 iterations. iteration 50: trace = 6.728815695854939 (0.000183423% change) linmin: converged after 21 iterations. iteration 51: trace = 6.728808306322497 (0.000109819% change) linmin: converged after 4 iterations. iteration 52: trace = 6.728797314816475 (0.00016335% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790325419642 (0.000103873% change) linmin: converged after 3 iterations. iteration 54: trace = 6.728785445883008 (7.25173e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936857087 (5.21495e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777422097875 (6.70963e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774454563909 (4.41021e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 6.728770671174583 (5.6227e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385672298 (6.36893e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704412972 (9.9294e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.72875601119287 (5.48871e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.728751331841288 (6.95426e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.72874796464996 (5.00419e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081336229 (2.79891e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.728743718769213 (3.51116e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.728741219545229 (3.71425e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737883388196 (4.95807e-05% change) linmin: converged after 4 iterations. iteration 68: trace = 6.728735364335745 (3.74372e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.728731339466727 (5.98161e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730346006439 (1.47645e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609534942 (1.09452e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724624632 (1.31512e-05% change) linmin: converged after 5 iterations. iteration 73: trace = 6.728727749057838 (1.44985e-05% change) linmin: converged after 4 iterations. iteration 74: trace = 6.728727117865986 (9.38055e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.728726358971596 (1.12784e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.728725547786055 (1.20556e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 6.728725090799029 (6.79158e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367858427 (1.07441e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.728723588535531 (1.1582e-05% change) linmin: converged after 5 iterations. iteration 80: trace = 6.728722668691688 (1.36704e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087240087 (8.64134e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147391891 (1.39677e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 6.728720480220985 (9.91527e-06% change) linmin: converged after 3 iterations. iteration 84: trace = 6.728720021721255 (6.81407e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 6.728719586362973 (6.47015e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719152096941 (6.45392e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.72871834009123 (1.20678e-05% change) linmin: converged after 3 iterations. iteration 88: trace = 6.728717407656027 (1.38575e-05% change) linmin: converged after 5 iterations. iteration 89: trace = 6.728717032430449 (5.57648e-06% change) linmin: converged after 3 iterations. iteration 90: trace = 6.72871649410642 (8.0004e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716173469844 (4.7652e-06% change) linmin: converged after 4 iterations. iteration 92: trace = 6.728715871692616 (4.48492e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 6.728715607469487 (3.9268e-06% change) large trace change predicted (1.12163e-05%) linmin: converged after 4 iterations. iteration 94: trace = 6.728714852608755 (1.12185e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143191418 (1.05431e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790266919 (5.24505e-06% change) linmin: converged after 7 iterations. iteration 97: trace = 6.728713564769784 (3.35127e-06% change) linmin: converged after 3 iterations. iteration 98: trace = 6.728713374919621 (2.82149e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158678365 (3.21371e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 6.728713034434811 (1.84647e-06% change) large trace change predicted (4.58191e-06%) linmin: converged after 7 iterations. iteration 101: trace = 6.728712726131686 (4.5819e-06% change) linmin: converged after 2 iterations. iteration 102: trace = 6.728712544797578 (2.69493e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.728712456543927 (1.3116e-06% change) linmin: converged after 17 iterations. iteration 104: trace = 6.728712395554486 (9.06406e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 6.728712336916566 (8.71458e-07% change) linmin: converged after 17 iterations. iteration 106: trace = 6.728712234536117 (1.52155e-06% change) linmin: converged after 4 iterations. iteration 107: trace = 6.728712175014115 (8.84597e-07% change) linmin: converged after 2 iterations. iteration 108: trace = 6.728712079746858 (1.41583e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 6.728712038965995 (6.06072e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 6.728712017322659 (3.21656e-07% change) linmin: converged after 6 iterations. iteration 111: trace = 6.728711999238461 (2.68762e-07% change) linmin: converged after 13 iterations. iteration 112: trace = 6.72871198812649 (1.65143e-07% change) large trace change predicted (5.36689e-07%) linmin: converged after 5 iterations. iteration 113: trace = 6.728711952015622 (5.36668e-07% change) linmin: converged after 2 iterations. iteration 114: trace = 6.728711933684225 (2.72435e-07% change) linmin: converged after 13 iterations. iteration 115: trace = 6.72871191370096 (2.96985e-07% change) linmin: converged after 9 iterations. iteration 116: trace = 6.728711900911255 (1.90077e-07% change) linmin: converged after 3 iterations. iteration 117: trace = 6.728711892031695 (1.31965e-07% change) linmin: converged after 4 iterations. iteration 118: trace = 6.728711886242931 (8.60308e-08% change) linmin: converged after 4 iterations. iteration 119: trace = 6.728711875183312 (1.64365e-07% change) linmin: converged after 9 iterations. iteration 120: trace = 6.728711860765718 (2.1427e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711851935491 (1.31232e-07% change) linmin: converged after 2 iterations. iteration 122: trace = 6.728711846055646 (8.73844e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.728711840169848 (8.74729e-08% change) linmin: converged after 7 iterations. iteration 124: trace = 6.728711834538759 (8.36875e-08% change) linmin: converged after 10 iterations. iteration 125: trace = 6.728711831328735 (4.77064e-08% change) large trace change predicted (1.16754e-07%) linmin: converged after 6 iterations. iteration 126: trace = 6.728711823472779 (1.16753e-07% change) linmin: converged after 7 iterations. iteration 127: trace = 6.728711817784118 (8.45431e-08% change) linmin: converged after 14 iterations. iteration 128: trace = 6.728711814629305 (4.68858e-08% change) linmin: converged after 6 iterations. iteration 129: trace = 6.728711812281972 (3.48853e-08% change) large trace change predicted (8.45074e-08%) linmin: converged after 13 iterations. iteration 130: trace = 6.728711806595773 (8.45065e-08% change) large trace change predicted (2.29296e-07%) linmin: converged after 6 iterations. iteration 131: trace = 6.728711791167963 (2.29283e-07% change) linmin: converged after 3 iterations. iteration 132: trace = 6.728711774820763 (2.42947e-07% change) linmin: converged after 26 iterations. iteration 133: trace = 6.728711761544937 (1.97301e-07% change) linmin: converged after 23 iterations. iteration 134: trace = 6.728711750700524 (1.61166e-07% change) large trace change predicted (4.60645e-07%) linmin: converged after 11 iterations. iteration 135: trace = 6.728711719705703 (4.60635e-07% change) linmin: converged after 6 iterations. iteration 136: trace = 6.728711658047874 (9.16339e-07% change) large trace change predicted (2.05386e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711519814793 (2.05438e-06% change) near maximum in trace linmin: converged after 17 iterations. iteration 138: trace = 6.728467676520134 (0.00362399% change) linmin: converged after 4 iterations. iteration 139: trace = 6.728466822677055 (1.269e-05% change) resetting CG direction... large trace change predicted (0.018568%) linmin: converged after 5 iterations. iteration 140: trace = 6.727218714366763 (0.0185514% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726366492086225 (0.0126691% change) linmin: converged after 4 iterations. iteration 142: trace = 6.725691075787562 (0.0100418% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724757685712713 (0.0138789% change) linmin: converged after 4 iterations. iteration 144: trace = 6.72424479622233 (0.00762718% change) large trace change predicted (0.0172976%) linmin: converged after 3 iterations. iteration 145: trace = 6.723076715277609 (0.0173727% change) linmin: converged after 3 iterations. iteration 146: trace = 6.72161344754217 (0.0217672% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720504871903711 (0.0164941% change) linmin: converged after 5 iterations. iteration 148: trace = 6.720144867332801 (0.00535695% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719663544782187 (0.00716264% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719139725546821 (0.00779562% change) linmin: converged after 3 iterations. iteration 151: trace = 6.718606635108354 (0.00793422% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717905159359738 (0.0104413% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717243309904859 (0.00985251% change) linmin: converged after 3 iterations. iteration 154: trace = 6.71647955261732 (0.0113707% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716115218189643 (0.00542463% change) large trace change predicted (0.0118821%) linmin: converged after 3 iterations. iteration 156: trace = 6.715323059423493 (0.0117956% change) linmin: converged after 4 iterations. iteration 157: trace = 6.714354963870299 (0.0144173% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713643053648819 (0.0106034% change) large trace change predicted (0.0248199%) linmin: converged after 4 iterations. iteration 159: trace = 6.711978706293033 (0.0247936% change) linmin: converged after 9 iterations. iteration 160: trace = 6.709997407045926 (0.0295232% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707910439302345 (0.0311072% change) linmin: converged after 4 iterations. iteration 162: trace = 6.706701961876402 (0.0180173% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704427438847916 (0.0339199% change) linmin: converged after 4 iterations. iteration 164: trace = 6.702796148146429 (0.0243345% change) large trace change predicted (0.0511128%) linmin: converged after 6 iterations. iteration 165: trace = 6.69946803263027 (0.049665% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695639987644674 (0.0571559% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691774773237587 (0.057744% change) linmin: converged after 6 iterations. iteration 168: trace = 6.68810093625443 (0.0549159% change) linmin: converged after 4 iterations. iteration 169: trace = 6.686115695225949 (0.0296876% change) linmin: converged after 5 iterations. iteration 170: trace = 6.684844170953795 (0.0190192% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683364364915652 (0.0221392% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682310478191265 (0.01577% change) linmin: converged after 4 iterations. iteration 173: trace = 6.681477457739594 (0.0124668% change) linmin: converged after 4 iterations. iteration 174: trace = 6.680154748014036 (0.0197986% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678652360416875 (0.0224928% change) linmin: converged after 4 iterations. iteration 176: trace = 6.67730413159377 (0.0201892% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675551700386317 (0.026248% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673612911144485 (0.0290473% change) linmin: converged after 4 iterations. iteration 179: trace = 6.671716838681385 (0.0284155% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670033515480098 (0.0252339% change) linmin: converged after 4 iterations. iteration 181: trace = 6.668887624227041 (0.0171812% change) linmin: converged after 4 iterations. iteration 182: trace = 6.667864303152948 (0.0153459% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666704083769415 (0.0174017% change) linmin: converged after 4 iterations. iteration 184: trace = 6.665932460803861 (0.0115749% change) linmin: converged after 5 iterations. iteration 185: trace = 6.665472318610627 (0.00690313% change) linmin: converged after 4 iterations. iteration 186: trace = 6.664939360495318 (0.00799612% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664334615181085 (0.00907394% change) linmin: converged after 8 iterations. iteration 188: trace = 6.663885919958308 (0.00673301% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663455623613645 (0.00645735% change) linmin: converged after 4 iterations. iteration 190: trace = 6.66288237104119 (0.0086033% change) linmin: converged after 4 iterations. iteration 191: trace = 6.662163260698975 (0.0107934% change) linmin: converged after 4 iterations. iteration 192: trace = 6.66127369542292 (0.0133534% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660409769660269 (0.0129702% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659822788388848 (0.00881338% change) linmin: converged after 3 iterations. iteration 195: trace = 6.659308991269387 (0.00771517% change) linmin: converged after 3 iterations. iteration 196: trace = 6.658715151827771 (0.00891783% change) linmin: converged after 4 iterations. iteration 197: trace = 6.658290475098785 (0.00637796% change) linmin: converged after 6 iterations. iteration 198: trace = 6.658046077918832 (0.00367064% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657796665299991 (0.0037461% change) linmin: converged after 3 iterations. iteration 200: trace = 6.657479932043239 (0.00475744% change) linmin: converged after 3 iterations. iteration 201: trace = 6.657190427532814 (0.00434865% change) linmin: converged after 3 iterations. iteration 202: trace = 6.656900540374206 (0.00435459% change) linmin: converged after 4 iterations. iteration 203: trace = 6.656519873005082 (0.00571855% change) linmin: converged after 3 iterations. iteration 204: trace = 6.656089877274613 (0.00645998% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655648124559248 (0.00663704% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655220041891899 (0.00643208% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654910579776006 (0.00465002% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654653899815066 (0.00385708% change) linmin: converged after 4 iterations. iteration 209: trace = 6.654330003793774 (0.00486733% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 6.653727283509893 (0.00905798% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652982876873067 (0.0111884% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652013059178747 (0.0145782% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651310770181437 (0.0105581% change) linmin: converged after 3 iterations. iteration 214: trace = 6.650807759778194 (0.00756286% change) large trace change predicted (0.019533%) linmin: converged after 3 iterations. iteration 215: trace = 6.649496556755972 (0.0197169% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648500795791221 (0.0149761% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647997469417716 (0.00757081% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647626157691604 (0.00558547% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647083755949957 (0.00815966% change) linmin: converged after 3 iterations. iteration 220: trace = 6.646318368384926 (0.0115153% change) linmin: converged after 3 iterations. iteration 221: trace = 6.645492126169215 (0.0124324% change) linmin: converged after 4 iterations. iteration 222: trace = 6.64442942893668 (0.0159925% change) linmin: converged after 3 iterations. iteration 223: trace = 6.643996167384536 (0.00652089% change) linmin: converged after 6 iterations. iteration 224: trace = 6.643704582173705 (0.0043888% change) linmin: converged after 3 iterations. iteration 225: trace = 6.643375266358972 (0.00495693% change) large trace change predicted (0.0107885%) linmin: converged after 4 iterations. iteration 226: trace = 6.642660604904379 (0.0107581% change) linmin: converged after 4 iterations. iteration 227: trace = 6.642238128048627 (0.00636026% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641623821063622 (0.00924892% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641103461889071 (0.00783513% change) linmin: converged after 5 iterations. iteration 230: trace = 6.64071041054493 (0.00591864% change) linmin: converged after 4 iterations. iteration 231: trace = 6.640460105576068 (0.00376932% change) linmin: converged after 4 iterations. iteration 232: trace = 6.640135478378861 (0.00488874% change) linmin: converged after 4 iterations. iteration 233: trace = 6.639846734475658 (0.00434856% change) linmin: converged after 4 iterations. iteration 234: trace = 6.639554469757444 (0.00440178% change) linmin: converged after 6 iterations. iteration 235: trace = 6.639306043304674 (0.00374168% change) linmin: converged after 5 iterations. iteration 236: trace = 6.639209135074116 (0.00145962% change) linmin: converged after 3 iterations. iteration 237: trace = 6.639151596872902 (0.000866646% change) linmin: converged after 3 iterations. iteration 238: trace = 6.63906930316477 (0.00123953% change) linmin: converged after 3 iterations. iteration 239: trace = 6.639005754237492 (0.000957201% change) linmin: converged after 3 iterations. iteration 240: trace = 6.638961699390713 (0.000663578% change) linmin: converged after 5 iterations. iteration 241: trace = 6.638890925045445 (0.00106605% change) linmin: converged after 6 iterations. iteration 242: trace = 6.638841432557617 (0.000745496% change) linmin: converged after 6 iterations. iteration 243: trace = 6.638816652035409 (0.000373266% change) linmin: converged after 9 iterations. iteration 244: trace = 6.638801815468099 (0.000223482% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638790125338653 (0.000176088% change) linmin: converged after 4 iterations. iteration 246: trace = 6.638784824190039 (7.98512e-05% change) large trace change predicted (0.00018509%) linmin: converged after 5 iterations. iteration 247: trace = 6.638772529729606 (0.000185192% change) linmin: converged after 3 iterations. iteration 248: trace = 6.638763085206537 (0.000142263% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638756844177657 (9.4009e-05% change) linmin: converged after 5 iterations. iteration 250: trace = 6.638752634592222 (6.34093e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748721475337 (5.89436e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.63874730290846 (2.1368e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 6.638745109547398 (3.30388e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 6.638743145417391 (2.95859e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741202442434 (2.92672e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 6.638739526265767 (2.52484e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 6.638738457242691 (1.61028e-05% change) linmin: converged after 5 iterations. iteration 258: trace = 6.638737920373389 (8.08692e-06% change) linmin: converged after 4 iterations. iteration 259: trace = 6.638737454177195 (7.02236e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736827641666 (9.43757e-06% change) linmin: converged after 5 iterations. iteration 261: trace = 6.638736250300183 (8.69656e-06% change) linmin: converged after 3 iterations. iteration 262: trace = 6.638735781354858 (7.06377e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.638735299032222 (7.26528e-06% change) linmin: converged after 6 iterations. iteration 264: trace = 6.638735099518304 (3.0053e-06% change) linmin: converged after 8 iterations. iteration 265: trace = 6.638734965462749 (2.01929e-06% change) linmin: converged after 4 iterations. iteration 266: trace = 6.638734791418959 (2.62164e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 6.638734668881191 (1.8458e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.63873450050513 (2.53627e-06% change) linmin: converged after 3 iterations. iteration 269: trace = 6.638734339752871 (2.42143e-06% change) linmin: converged after 6 iterations. iteration 270: trace = 6.638734229192293 (1.66539e-06% change) linmin: converged after 8 iterations. iteration 271: trace = 6.638734187258041 (6.3166e-07% change) linmin: converged after 7 iterations. iteration 272: trace = 6.638734131357534 (8.42036e-07% change) linmin: converged after 8 iterations. iteration 273: trace = 6.638734082131099 (7.41503e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.638734018601487 (9.56954e-07% change) linmin: converged after 5 iterations. iteration 275: trace = 6.638733945819291 (1.09633e-06% change) linmin: converged after 11 iterations. iteration 276: trace = 6.638733866251981 (1.19853e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 6.638733837967408 (4.26054e-07% change) linmin: converged after 4 iterations. iteration 278: trace = 6.638733800151342 (5.69628e-07% change) linmin: converged after 4 iterations. iteration 279: trace = 6.638733772724021 (4.13141e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733760805773 (1.79526e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 6.638733745224442 (2.34703e-07% change) linmin: converged after 5 iterations. iteration 282: trace = 6.638733727346978 (2.6929e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733706164586 (3.19073e-07% change) linmin: converged after 8 iterations. iteration 284: trace = 6.638733690362327 (2.38031e-07% change) linmin: converged after 5 iterations. iteration 285: trace = 6.63873366609976 (3.6547e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733654607717 (1.73106e-07% change) linmin: converged after 22 iterations. iteration 287: trace = 6.638733643871517 (1.61721e-07% change) linmin: converged after 3 iterations. iteration 288: trace = 6.638733631574095 (1.85237e-07% change) large trace change predicted (4.26358e-07%) linmin: converged after 4 iterations. iteration 289: trace = 6.638733603269583 (4.26354e-07% change) linmin: converged after 4 iterations. iteration 290: trace = 6.638733586947329 (2.45864e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733567201628 (2.97432e-07% change) linmin: converged after 7 iterations. iteration 292: trace = 6.638733552971927 (2.14344e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733546020708 (1.04707e-07% change) linmin: converged after 4 iterations. iteration 294: trace = 6.638733540691183 (8.02792e-08% change) linmin: converged after 4 iterations. iteration 295: trace = 6.638733532751369 (1.19598e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 6.63873351756529 (2.2875e-07% change) linmin: converged after 14 iterations. iteration 297: trace = 6.638733509789656 (1.17125e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733500662473 (1.37484e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 6.638733495890075 (7.18872e-08% change) linmin: converged after 4 iterations. iteration 300: trace = 6.638733490685209 (7.84015e-08% change) linmin: converged after 6 iterations. iteration 301: trace = 6.638733483885382 (1.02427e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 6.638733479603219 (6.45027e-08% change) linmin: converged after 26 iterations. iteration 303: trace = 6.638733472532379 (1.06509e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 6.638733469030458 (5.27498e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733467226934 (2.71667e-08% change) linmin: converged after 4 iterations. iteration 306: trace = 6.638733466057676 (1.76127e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463918526 (3.22223e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461892922 (3.05119e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733460905915 (1.48674e-08% change) linmin: converged after 4 iterations. iteration 310: trace = 6.638733459650914 (1.89042e-08% change) linmin: converged after 5 iterations. iteration 311: trace = 6.63873345871143 (1.41516e-08% change) linmin: converged after 4 iterations. iteration 312: trace = 6.638733458226567 (7.30354e-09% change) linmin: converged after 19 iterations. iteration 313: trace = 6.63873345792982 (4.46994e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457438067 (7.40732e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345679617 (9.66897e-09% change) linmin: converged after 4 iterations. iteration 316: trace = 6.638733456369968 (6.41993e-09% change) linmin: converged after 4 iterations. iteration 317: trace = 6.638733456111766 (3.88932e-09% change) linmin: converged after 4 iterations. iteration 318: trace = 6.638733456018906 (1.39877e-09% change) linmin: converged after 19 iterations. iteration 319: trace = 6.638733455896253 (1.84754e-09% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455817651 (1.18398e-09% change) linmin: converged after 15 iterations. iteration 321: trace = 6.638733455767222 (7.59631e-10% change) linmin: converged after 18 iterations. iteration 322: trace = 6.638733455704884 (9.39e-10% change) linmin: converged after 5 iterations. iteration 323: trace = 6.638733455618107 (1.30713e-09% change) linmin: converged after 3 iterations. iteration 324: trace = 6.638733455568726 (7.43831e-10% change) linmin: converged after 15 iterations. iteration 325: trace = 6.638733455554062 (2.20883e-10% change) linmin: converged after 3 iterations. iteration 326: trace = 6.638733455532845 (3.19591e-10% change) linmin: converged after 4 iterations. iteration 327: trace = 6.638733455518669 (2.13538e-10% change) linmin: converged after 4 iterations. iteration 328: trace = 6.638733455508477 (1.53521e-10% change) linmin: converged after 5 iterations. iteration 329: trace = 6.638733455497991 (1.57963e-10% change) linmin: converged after 5 iterations. iteration 330: trace = 6.638733455486216 (1.77362e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455481888 (6.51946e-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: 3.4262287616729736 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.626057680061108 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613150159092 (0.0519981% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673758029994 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.619597698317753 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315105307666 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219283238509 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295862909462 (0.0290711% change) linmin: converged after 3 iterations. iteration 8: trace = 6.614179484126281 (0.0168771% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750788629334 (0.00648167% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492229009827 (0.0039095% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099986286302 (0.00593112% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612507823633257 (0.00895479% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911593337246 (0.00901711% change) linmin: converged after 3 iterations. iteration 14: trace = 6.61162197775315 (0.00438031% change) linmin: converged after 3 iterations. iteration 15: trace = 6.611528794373691 (0.0014094% change) linmin: converged after 3 iterations. iteration 16: trace = 6.611478375761369 (0.000762589% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426399787048 (0.000786151% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356798088678 (0.00105275% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309365716208 (0.00071744% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277449656 (0.00110551% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184238842879 (0.000787127% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157387940621 (0.000406144% change) linmin: converged after 10 iterations. iteration 23: trace = 6.611149755250704 (0.000115452% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137417182547 (0.000186625% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117108656838 (0.000307187% change) linmin: converged after 3 iterations. iteration 26: trace = 6.61110688477478 (0.000154647% change) linmin: converged after 5 iterations. iteration 27: trace = 6.611093350469068 (0.000204721% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832402347 (6.83407e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 6.611086831392396 (3.02675e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.611085127367776 (2.57753e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.611082646541136 (3.75253e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563744034 (6.17569e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077154973787 (2.13092e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809211699 (2.03562e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 6.611075193961638 (9.30635e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.611074699166015 (7.48434e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407855735 (4.4064e-06% change) large trace change predicted (9.33749e-06%) linmin: converged after 3 iterations. iteration 38: trace = 6.61107379058573 (9.33691e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.611073203305821 (8.88328e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.61107305237904 (2.28294e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 6.611072941955356 (1.67028e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072861000891 (1.22453e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 6.61107280858745 (7.92813e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 6.611072776044095 (4.92255e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.61107273816701 (5.72934e-07% change) linmin: converged after 11 iterations. iteration 46: trace = 6.61107269887565 (5.94327e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 6.611072683720985 (2.29232e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 6.611072672237365 (1.73703e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.611072662758936 (1.43372e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 6.611072656980989 (8.7398e-08% change) linmin: converged after 9 iterations. iteration 51: trace = 6.611072652222189 (7.19823e-08% change) linmin: converged after 6 iterations. iteration 52: trace = 6.611072646471797 (8.69812e-08% change) linmin: converged after 20 iterations. iteration 53: trace = 6.611072641186898 (7.99401e-08% change) linmin: converged after 27 iterations. iteration 54: trace = 6.611072640195109 (1.50019e-08% change) linmin: converged after 10 iterations. iteration 55: trace = 6.611072639602639 (8.96177e-09% change) linmin: converged after 6 iterations. iteration 56: trace = 6.611072639215628 (5.85399e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 6.611072638759737 (6.89588e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 6.611072638476492 (4.2844e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 6.611072638036786 (6.65105e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637786115 (3.79169e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.611072637654927 (1.98436e-09% change) linmin: converged after 15 iterations. iteration 62: trace = 6.611072637586029 (1.04216e-09% change) linmin: converged after 7 iterations. iteration 63: trace = 6.611072637534606 (7.77843e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.61107263749522 (5.95749e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 6.611072637473942 (3.21855e-10% change) large trace change predicted (1.05828e-09%) linmin: converged after 6 iterations. iteration 66: trace = 6.611072637403977 (1.05831e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.611072637378213 (3.89701e-10% change) linmin: converged after 4 iterations. iteration 68: trace = 6.61107263736665 (1.74906e-10% change) linmin: converged after 8 iterations. iteration 69: trace = 6.611072637361749 (7.41327e-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: 0.7539670467376709 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.69654845044538 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.689342465389434 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588260991 (0.0654071% change) linmin: converged after 3 iterations. iteration 4: trace = 6.682654417501496 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578973617362 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750731129586 (0.0423443% change) linmin: converged after 4 iterations. iteration 7: trace = 6.674361515534968 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549248557 (0.0271564% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357074060719 (0.032859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273355688 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931877596693 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347466497 (0.00728184% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395925872 (0.0240444% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664868522589838 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786988959 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117138858 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.66281320900126 (0.00708247% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367705821 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138473524 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849243279 (0.00524274% change) linmin: converged after 4 iterations. iteration 21: trace = 6.661974209916389 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520835916 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720875596 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436807934 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968903852 (0.00105786% change) linmin: converged after 5 iterations. iteration 26: trace = 6.661273357522784 (0.000864867% change) linmin: converged after 4 iterations. iteration 27: trace = 6.661214838069934 (0.000878506% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759375805 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661282506 (0.000677033% change) linmin: converged after 4 iterations. iteration 30: trace = 6.661070300434494 (0.000635945% change) linmin: converged after 3 iterations. iteration 31: trace = 6.661058307968321 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292614222 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283370431 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969806436 (0.000229898% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272741568 (0.000190618% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057677351 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846173868 (9.32521e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536513243 (6.47002e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.660965329827368 (7.81671e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.660960398953148 (7.40264e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 6.660955690624854 (7.06855e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.660951410683768 (6.42542e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 6.660948058455262 (5.03266e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.660947085875466 (1.46012e-05% change) large trace change predicted (2.98572e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.66094509702946 (2.98583e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821755317 (1.91455e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.660942440363906 (2.07387e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 6.660941469333209 (1.4578e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.660940204082818 (1.89951e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.660939460599178 (1.11618e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.660938948008351 (7.69547e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.66093843513749 (7.69968e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.660938003152589 (6.48535e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.660937690929008 (4.68738e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.660937258479372 (6.49232e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.660937080996762 (2.66453e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.660937039771764 (6.18907e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992665231 (7.07206e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 6.660936943517987 (7.37843e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 6.660936890578381 (7.94777e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.66093683346495 (8.57438e-07% change) linmin: converged after 8 iterations. iteration 62: trace = 6.660936777957478 (8.33328e-07% change) linmin: converged after 3 iterations. iteration 63: trace = 6.660936765953408 (1.80216e-07% change) linmin: converged after 16 iterations. iteration 64: trace = 6.66093675501629 (1.64198e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.660936746504824 (1.27782e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.660936740713515 (8.69444e-08% change) linmin: converged after 3 iterations. iteration 67: trace = 6.660936737170109 (5.31968e-08% change) linmin: converged after 5 iterations. iteration 68: trace = 6.660936730929242 (9.36935e-08% change) linmin: converged after 10 iterations. iteration 69: trace = 6.660936726675908 (6.38549e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.660936725042697 (2.45192e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723759343 (1.92669e-08% change) linmin: converged after 3 iterations. iteration 72: trace = 6.660936722382155 (2.06756e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.660936721383409 (1.49941e-08% change) linmin: converged after 26 iterations. iteration 74: trace = 6.660936720552815 (1.24696e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719204011 (2.02495e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718302366 (1.35363e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.660936717516758 (1.17943e-08% change) linmin: converged after 4 iterations. iteration 78: trace = 6.660936716875944 (9.62049e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.660936716382319 (7.41074e-09% change) linmin: converged after 11 iterations. iteration 80: trace = 6.660936716199592 (2.74327e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 6.660936715851827 (5.22095e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 6.660936715504813 (5.20969e-09% change) linmin: converged after 17 iterations. iteration 83: trace = 6.66093671530515 (2.99753e-09% change) linmin: converged after 6 iterations. iteration 84: trace = 6.660936715088297 (3.2556e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937274 (2.26728e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.660936714833789 (1.55361e-09% change) linmin: converged after 6 iterations. iteration 87: trace = 6.660936714748041 (1.28733e-09% change) linmin: converged after 4 iterations. iteration 88: trace = 6.660936714696274 (7.77167e-10% change) linmin: converged after 9 iterations. iteration 89: trace = 6.660936714617526 (1.18223e-09% change) linmin: converged after 16 iterations. iteration 90: trace = 6.660936714577175 (6.05797e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542665 (5.18098e-10% change) linmin: converged after 16 iterations. iteration 92: trace = 6.660936714523192 (2.92338e-10% change) linmin: converged after 7 iterations. iteration 93: trace = 6.660936714512339 (1.6293e-10% change) linmin: converged after 8 iterations. iteration 94: trace = 6.660936714494097 (2.7387e-10% change) linmin: converged after 19 iterations. iteration 95: trace = 6.660936714476152 (2.69403e-10% change) linmin: converged after 9 iterations. iteration 96: trace = 6.66093671446068 (2.32281e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.660936714455418 (7.90048e-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: 0.9272246360778809 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693009509355 (0.25821% change) linmin: converged after 4 iterations. iteration 2: trace = 6.814914953803855 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.80349259259031 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487293035374 (0.0735966% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793361672831752 (0.075422% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739192861497 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782648801162672 (0.0455528% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775936762693815 (0.0990079% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502035075953 (0.124558% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226494490146 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059605907045 (0.0912242% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376329081043 (0.0841441% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749200924191635 (0.0322268% change) large trace change predicted (0.098765%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591258451647 (0.0979805% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640380937406 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712679584903 (0.043443% change) linmin: converged after 4 iterations. iteration 17: trace = 6.734520768213963 (0.047385% change) linmin: converged after 3 iterations. iteration 18: trace = 6.732582909682113 (0.0287791% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242225832917 (0.049632% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109268392263 (0.0168377% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644072383057 (0.0217796% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872541595572 (0.0114704% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359727039545 (0.0076248% change) linmin: converged after 3 iterations. iteration 24: trace = 6.724756246878695 (0.00897361% change) linmin: converged after 3 iterations. iteration 25: trace = 6.724231312344552 (0.00780631% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530380244878 (0.0104245% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053541689572 (0.00709234% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658816282602 (0.00587139% change) linmin: converged after 4 iterations. iteration 29: trace = 6.722318016494103 (0.00506955% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110937685604 (0.00308051% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805718814229 (0.00454062% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654544292313 (0.00224904% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517297291757 (0.00204188% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358426486663 (0.00236364% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272057503681 (0.001285% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179697998374 (0.00137415% change) linmin: converged after 8 iterations. iteration 37: trace = 6.721123295779345 (0.000839175% change) linmin: converged after 3 iterations. iteration 38: trace = 6.721064006920027 (0.000882131% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970920534479 (0.001385% change) linmin: converged after 4 iterations. iteration 40: trace = 6.720931115041917 (0.00059226% change) large trace change predicted (0.00161289%) linmin: converged after 4 iterations. iteration 41: trace = 6.720822624615868 (0.00161423% change) linmin: converged after 4 iterations. iteration 42: trace = 6.720798455539199 (0.000359616% change) large trace change predicted (0.000726899%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749733142967 (0.000724952% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072259651375 (0.000403775% change) linmin: converged after 4 iterations. iteration 45: trace = 6.720705194621593 (0.000258929% change) large trace change predicted (0.000642161%) linmin: converged after 5 iterations. iteration 46: trace = 6.720662126412612 (0.000640831% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647153571656 (0.000222788% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620432777547 (0.000397593% change) linmin: converged after 8 iterations. iteration 49: trace = 6.720599308836597 (0.000314316% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588136920369 (0.000166234% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572436382472 (0.000233619% change) linmin: converged after 3 iterations. iteration 52: trace = 6.72056049850275 (0.000177632% change) linmin: converged after 3 iterations. iteration 53: trace = 6.720550778109152 (0.000144637% change) linmin: converged after 3 iterations. iteration 54: trace = 6.720542012357478 (0.000130432% change) linmin: converged after 3 iterations. iteration 55: trace = 6.720538071529437 (5.86386e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533814530072 (6.33432e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.72053111546679 (4.01614e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.720527586961625 (5.25034e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.720523740708953 (5.72314e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.720520451880097 (4.89371e-05% change) linmin: converged after 8 iterations. iteration 61: trace = 6.720515634996238 (7.16743e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 6.72051369536523 (2.88613e-05% change) linmin: converged after 4 iterations. iteration 63: trace = 6.720511339571822 (3.50538e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233210004 (1.64625e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.720509525494228 (1.05307e-05% change) linmin: converged after 4 iterations. iteration 66: trace = 6.720508403194731 (1.66996e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 6.720507795289488 (9.04553e-06% change) large trace change predicted (2.55072e-05%) linmin: converged after 5 iterations. iteration 68: trace = 6.720506081121345 (2.55065e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505165825274 (1.36195e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632156591 (7.9409e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.720503757799341 (1.30103e-05% change) linmin: converged after 4 iterations. iteration 72: trace = 6.720503154921627 (8.97072e-06% change) linmin: converged after 5 iterations. iteration 73: trace = 6.720502824794567 (4.91224e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267012932 (8.2997e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.720501617589154 (9.66332e-06% change) linmin: converged after 5 iterations. iteration 76: trace = 6.720501325381541 (4.348e-06% change) linmin: converged after 4 iterations. iteration 77: trace = 6.720500923016337 (5.98713e-06% change) linmin: converged after 13 iterations. iteration 78: trace = 6.720500448263402 (7.06425e-06% change) linmin: converged after 4 iterations. iteration 79: trace = 6.720500086904897 (5.37696e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.72049971066609 (5.59838e-06% change) linmin: converged after 3 iterations. iteration 81: trace = 6.720499408588009 (4.49488e-06% change) linmin: converged after 24 iterations. iteration 82: trace = 6.720499351217588 (8.53663e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.720499245530999 (1.5726e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132628416 (1.67997e-06% change) linmin: converged after 6 iterations. iteration 85: trace = 6.720498945686137 (2.78167e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.720498852037553 (1.39348e-06% change) linmin: converged after 13 iterations. iteration 87: trace = 6.72049876179798 (1.34275e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 6.720498673622661 (1.31204e-06% change) linmin: converged after 9 iterations. iteration 89: trace = 6.720498653550743 (2.98667e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625574306 (4.16285e-07% change) linmin: converged after 3 iterations. iteration 91: trace = 6.720498602023643 (3.5043e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 6.720498576845937 (3.7464e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.720498560354732 (2.45387e-07% change) linmin: converged after 17 iterations. iteration 94: trace = 6.720498532105534 (4.20344e-07% change) linmin: converged after 20 iterations. iteration 95: trace = 6.720498515226424 (2.51159e-07% change) linmin: converged after 3 iterations. iteration 96: trace = 6.720498508350872 (1.02307e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499071903 (1.3807e-07% change) linmin: converged after 5 iterations. iteration 98: trace = 6.72049849255693 (9.69418e-08% change) linmin: converged after 23 iterations. iteration 99: trace = 6.720498490565329 (2.96347e-08% change) large trace change predicted (6.27646e-08%) linmin: converged after 4 iterations. iteration 100: trace = 6.720498486347176 (6.27655e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482713844 (5.40634e-08% change) linmin: converged after 5 iterations. iteration 102: trace = 6.720498480604805 (3.13822e-08% change) linmin: converged after 2 iterations. iteration 103: trace = 6.720498478101719 (3.72455e-08% change) linmin: converged after 3 iterations. iteration 104: trace = 6.720498474494685 (5.36721e-08% change) linmin: converged after 8 iterations. iteration 105: trace = 6.720498473680109 (1.21208e-08% change) large trace change predicted (2.67838e-08%) linmin: converged after 9 iterations. iteration 106: trace = 6.720498471880106 (2.67838e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.72049847113742 (1.10511e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.720498470362708 (1.15276e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469398495 (1.43473e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.720498468652625 (1.10984e-08% change) linmin: converged after 5 iterations. iteration 111: trace = 6.720498468340877 (4.63876e-09% change) large trace change predicted (1.02598e-08%) linmin: converged after 4 iterations. iteration 112: trace = 6.720498467651371 (1.02597e-08% change) linmin: converged after 13 iterations. iteration 113: trace = 6.720498466999747 (9.69607e-09% change) linmin: converged after 4 iterations. iteration 114: trace = 6.720498466794165 (3.05902e-09% change) linmin: converged after 7 iterations. iteration 115: trace = 6.720498466463515 (4.92002e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.720498466264045 (2.96808e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466089358 (2.59932e-09% change) linmin: converged after 7 iterations. iteration 118: trace = 6.720498466024186 (9.69761e-10% change) large trace change predicted (2.23121e-09%) linmin: converged after 7 iterations. iteration 119: trace = 6.720498465874219 (2.23148e-09% change) linmin: converged after 6 iterations. iteration 120: trace = 6.720498465792746 (1.21231e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465741266 (7.6601e-10% change) linmin: converged after 6 iterations. iteration 122: trace = 6.720498465699388 (6.23146e-10% change) linmin: converged after 15 iterations. iteration 123: trace = 6.720498465621622 (1.15714e-09% change) linmin: converged after 7 iterations. iteration 124: trace = 6.720498465595851 (3.83474e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.720498465572887 (3.41699e-10% change) linmin: converged after 4 iterations. iteration 126: trace = 6.720498465559331 (2.01715e-10% change) linmin: converged after 3 iterations. iteration 127: trace = 6.720498465556362 (4.4181e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 1.2483248710632324 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955117772241 (0.370682% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471593541571 (0.286682% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412258749567 (0.296016% change) linmin: converged after 6 iterations. iteration 4: trace = 6.762821461612855 (0.053082% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.751550593868457 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745348944498958 (0.0918974% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351541438473 (0.0592792% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815008697663 (0.0524741% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500225994172 (0.0195154% change) large trace change predicted (0.0500714%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113211555088 (0.0502912% change) linmin: converged after 4 iterations. iteration 11: trace = 6.731523422319657 (0.0236143% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172136473796 (0.0349356% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626413320468 (0.0378383% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266946850451 (0.0202123% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631962344139 (0.039188% change) linmin: converged after 4 iterations. iteration 16: trace = 6.72129740334413 (0.0198537% change) linmin: converged after 3 iterations. iteration 17: trace = 6.718798672874954 (0.0371832% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806229672533 (0.0147722% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974622184646 (0.0123799% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637307979371 (0.00895596% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154311220669 (0.0032573% change) large trace change predicted (0.010166%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471641311722 (0.0101651% change) linmin: converged after 4 iterations. iteration 23: trace = 6.715183546689876 (0.00429011% change) large trace change predicted (0.011398%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417835449604 (0.0114033% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023915887972 (0.00586694% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806566599978 (0.0032373% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579686560926 (0.00337936% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511748448841 (0.00101196% change) large trace change predicted (0.00208806%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371330510696 (0.00209159% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315090617693 (0.000837733% change) large trace change predicted (0.00185168%) linmin: converged after 17 iterations. iteration 31: trace = 6.713190942516531 (0.0018493% change) linmin: converged after 4 iterations. iteration 32: trace = 6.713118700750901 (0.00107612% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048705716681 (0.00104267% change) linmin: converged after 3 iterations. iteration 34: trace = 6.71296019564673 (0.00131849% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939424520887 (0.000309419% change) large trace change predicted (0.00071386%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891504265794 (0.000713852% change) linmin: converged after 3 iterations. iteration 37: trace = 6.712883804442485 (0.000114702% change) large trace change predicted (0.000489945%) linmin: converged after 5 iterations. iteration 38: trace = 6.712850923778315 (0.000489815% change) linmin: converged after 4 iterations. iteration 39: trace = 6.71283195679099 (0.000282548% change) linmin: converged after 3 iterations. iteration 40: trace = 6.71281912332848 (0.000191178% change) linmin: converged after 5 iterations. iteration 41: trace = 6.712799139279238 (0.0002977% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794545320271 (6.84358e-05% change) large trace change predicted (0.000162525%) linmin: converged after 3 iterations. iteration 43: trace = 6.712783638859536 (0.000162473% change) linmin: converged after 4 iterations. iteration 44: trace = 6.71278129732903 (3.48817e-05% change) large trace change predicted (8.74737e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.712775425452453 (8.74731e-05% change) linmin: converged after 18 iterations. iteration 46: trace = 6.712773788109982 (2.43914e-05% change) large trace change predicted (5.15475e-05%) linmin: converged after 4 iterations. iteration 47: trace = 6.712770326445266 (5.15683e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767503525463 (4.2053e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.712766706039402 (1.18801e-05% change) large trace change predicted (4.49272e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689738222 (4.49338e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102573786 (8.74699e-06% change) large trace change predicted (2.7173e-05%) linmin: converged after 3 iterations. iteration 52: trace = 6.712761278503672 (2.71732e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760420725576 (1.27783e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.712759718335074 (1.04635e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.71275902240941 (1.03672e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.712758847549602 (2.60489e-06% change) large trace change predicted (8.44596e-06%) linmin: converged after 3 iterations. iteration 57: trace = 6.712758280698173 (8.44439e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165217802 (1.72031e-06% change) large trace change predicted (5.84801e-06%) linmin: converged after 8 iterations. iteration 59: trace = 6.712757772720239 (5.84704e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572690752 (2.97984e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429153706 (2.13827e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251644088 (2.64436e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 6.712757218533974 (4.93242e-07% change) large trace change predicted (1.75911e-06%) linmin: converged after 3 iterations. iteration 64: trace = 6.712757100444576 (1.75918e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077219361 (3.45986e-07% change) large trace change predicted (7.75122e-07%) linmin: converged after 2 iterations. iteration 66: trace = 6.712757025186068 (7.7514e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.71275698250338 (6.35844e-07% change) linmin: converged after 14 iterations. iteration 68: trace = 6.712756959208229 (3.47028e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756913023491 (6.88014e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.71275690086467 (1.8113e-07% change) linmin: converged after 4 iterations. iteration 71: trace = 6.712756887627151 (1.97199e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883401111 (6.29554e-08% change) large trace change predicted (1.50465e-07%) linmin: converged after 9 iterations. iteration 73: trace = 6.712756873300895 (1.50463e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865402667 (1.1766e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859680703 (8.52401e-08% change) large trace change predicted (2.04432e-07%) linmin: converged after 3 iterations. iteration 76: trace = 6.712756845957691 (2.04432e-07% change) linmin: converged after 24 iterations. iteration 77: trace = 6.712756843615958 (3.48848e-08% change) large trace change predicted (1.27328e-07%) linmin: converged after 2 iterations. iteration 78: trace = 6.71275683506865 (1.27329e-07% change) linmin: converged after 4 iterations. iteration 79: trace = 6.712756830480476 (6.83501e-08% change) linmin: converged after 13 iterations. iteration 80: trace = 6.712756828633308 (2.75173e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.712756824945661 (5.49349e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821599504 (4.98477e-08% change) linmin: converged after 9 iterations. iteration 83: trace = 6.712756819552346 (3.04965e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.712756818543507 (1.50287e-08% change) linmin: converged after 9 iterations. iteration 85: trace = 6.712756816762955 (2.65249e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 6.712756815909725 (1.27106e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756815010679 (1.33931e-08% change) linmin: converged after 2 iterations. iteration 88: trace = 6.712756814261524 (1.11602e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 6.712756814020127 (3.59608e-09% change) large trace change predicted (8.86045e-09%) linmin: converged after 22 iterations. iteration 90: trace = 6.712756813425355 (8.86033e-09% change) linmin: converged after 19 iterations. iteration 91: trace = 6.712756812937617 (7.26584e-09% change) linmin: converged after 21 iterations. iteration 92: trace = 6.712756812818089 (1.78062e-09% change) large trace change predicted (6.73182e-09%) linmin: converged after 17 iterations. iteration 93: trace = 6.712756812366194 (6.73189e-09% change) linmin: converged after 2 iterations. iteration 94: trace = 6.712756812080861 (4.2506e-09% change) linmin: converged after 4 iterations. iteration 95: trace = 6.712756811902888 (2.65127e-09% change) linmin: converged after 21 iterations. iteration 96: trace = 6.712756811643816 (3.8594e-09% change) linmin: converged after 6 iterations. iteration 97: trace = 6.712756811580386 (9.4492e-10% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811502588 (1.15895e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.712756811381926 (1.79751e-09% change) linmin: converged after 7 iterations. iteration 100: trace = 6.712756811354001 (4.15989e-10% change) large trace change predicted (1.68607e-09%) linmin: converged after 3 iterations. iteration 101: trace = 6.712756811240808 (1.68624e-09% change) linmin: converged after 18 iterations. iteration 102: trace = 6.712756811186931 (8.02618e-10% change) linmin: converged after 4 iterations. iteration 103: trace = 6.712756811156103 (4.59242e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.712756811110363 (6.8138e-10% change) linmin: converged after 6 iterations. iteration 105: trace = 6.7127568110782 (4.79142e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070137 (1.20113e-10% change) linmin: converged after 6 iterations. iteration 107: trace = 6.712756811054629 (2.3103e-10% change) linmin: converged after 6 iterations. iteration 108: trace = 6.712756811038921 (2.33994e-10% change) linmin: converged after 12 iterations. iteration 109: trace = 6.712756811033316 (8.35021e-11% change) Finished solving for bands 1 to 8 after 109 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 1.0399651527404785 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447548043949 (0.0750936% change) large trace change predicted (0.247843%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509600747212 (0.249235% change) linmin: converged after 6 iterations. iteration 3: trace = 6.784166058192271 (0.0492724% change) large trace change predicted (0.154109%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847276119349 (0.152217% change) linmin: converged after 4 iterations. iteration 5: trace = 6.772519949267263 (0.0195968% change) large trace change predicted (0.0906925%) linmin: converged after 4 iterations. iteration 6: trace = 6.766221047988523 (0.09305% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489380909584 (0.0108141% change) large trace change predicted (0.0789846%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960321484949 (0.0817579% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759699961058546 (0.00385158% change) large trace change predicted (0.0309304%) linmin: converged after 3 iterations. iteration 10: trace = 6.757603957166926 (0.0310122% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369109465599 (0.00347537% change) large trace change predicted (0.0247088%) linmin: converged after 4 iterations. iteration 12: trace = 6.755700357837796 (0.0246983% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504857876286 (0.00289389% change) large trace change predicted (0.0128502%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652266457215 (0.0126215% change) linmin: converged after 4 iterations. iteration 15: trace = 6.75411589219693 (0.00794113% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542854864907 (0.00848463% change) large trace change predicted (0.0199738%) linmin: converged after 3 iterations. iteration 17: trace = 6.75218331881591 (0.0201327% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084985020431 (0.00145634% change) large trace change predicted (0.0158812%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015944405045 (0.015834% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877670437886 (0.00204822% change) large trace change predicted (0.0154239%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833227807015 (0.0154724% change) linmin: converged after 3 iterations. iteration 22: trace = 6.749728285815615 (0.00155475% change) large trace change predicted (0.0115022%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952052298026 (0.0115009% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764550649779 (0.00277827% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476052157316 (0.00427493% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262772241631 (0.00316047% change) linmin: converged after 3 iterations. iteration 27: trace = 6.74816515622631 (0.00144655% change) large trace change predicted (0.00385803%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822711911 (0.0038431% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612356563 (0.000877467% change) large trace change predicted (0.0031775%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632833095571 (0.00316816% change) linmin: converged after 3 iterations. iteration 31: trace = 6.747606390361367 (0.000391882% change) large trace change predicted (0.00306592%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399952593965 (0.00305947% change) linmin: converged after 3 iterations. iteration 33: trace = 6.747387721268134 (0.000181275% change) large trace change predicted (0.00242323%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225026880254 (0.00241125% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193965157599 (0.000460364% change) large trace change predicted (0.00107864%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121437580671 (0.00107494% change) linmin: converged after 3 iterations. iteration 37: trace = 6.747099772810188 (0.000321097% change) large trace change predicted (0.000751394%) linmin: converged after 5 iterations. iteration 38: trace = 6.74704914245593 (0.000750405% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008137381447 (0.00060775% change) linmin: converged after 5 iterations. iteration 40: trace = 6.746998870204572 (0.000137352% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262335218 (0.00063151% change) linmin: converged after 4 iterations. iteration 42: trace = 6.74695350490592 (4.08692e-05% change) large trace change predicted (0.000481253%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047968558 (0.000481062% change) linmin: converged after 4 iterations. iteration 44: trace = 6.74691736628563 (5.45684e-05% change) large trace change predicted (0.00026991%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899159701462 (0.000269851% change) linmin: converged after 4 iterations. iteration 46: trace = 6.74689500826754 (6.1531e-05% change) large trace change predicted (0.000193092%) linmin: converged after 4 iterations. iteration 47: trace = 6.746881972659889 (0.000193209% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481307779 (0.000111034% change) linmin: converged after 3 iterations. iteration 49: trace = 6.74686814630907 (9.38954e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 6.746857504486044 (0.00015773% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855517325923 (2.94531e-05% change) large trace change predicted (0.000214727%) linmin: converged after 3 iterations. iteration 52: trace = 6.746841037634172 (0.000214614% change) linmin: converged after 3 iterations. iteration 53: trace = 6.746840193152558 (1.25167e-05% change) large trace change predicted (9.31769e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909448903 (9.31355e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833184963643 (1.07382e-05% change) large trace change predicted (5.96425e-05%) linmin: converged after 4 iterations. iteration 56: trace = 6.746829162453164 (5.96207e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.7468287258641 (6.47103e-06% change) large trace change predicted (2.46704e-05%) linmin: converged after 3 iterations. iteration 58: trace = 6.746827062212902 (2.46583e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.74682588952647 (1.73813e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452538495 (6.47694e-06% change) large trace change predicted (2.95803e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456638945 (2.95828e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.746823127032502 (4.88536e-06% change) large trace change predicted (2.68455e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.74682131590527 (2.68442e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.746821184243231 (1.95147e-06% change) large trace change predicted (1.52561e-05%) linmin: converged after 3 iterations. iteration 65: trace = 6.746820154859713 (1.52573e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.746820081611332 (1.08567e-06% change) large trace change predicted (7.08729e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.74681960341304 (7.08776e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.7468194527017 (2.23381e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 6.746819257151435 (2.89841e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.746819149012702 (1.60281e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008667181 (2.08017e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910163286 (1.46001e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745326943 (2.44317e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.746818616832253 (1.90452e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.746818399307709 (3.22411e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.746818285512019 (1.68666e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.746818109972885 (2.60181e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.746818071145252 (5.75495e-07% change) large trace change predicted (1.54209e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105433 (1.54206e-06% change) linmin: converged after 4 iterations. iteration 80: trace = 6.746817920047496 (6.97483e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.746817908306301 (1.74026e-07% change) large trace change predicted (1.27745e-06%) linmin: converged after 6 iterations. iteration 82: trace = 6.746817822116101 (1.27749e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.746817816333117 (8.57142e-08% change) large trace change predicted (1.10692e-06%) linmin: converged after 3 iterations. iteration 84: trace = 6.74681774165358 (1.10689e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736344654 (7.86879e-08% change) large trace change predicted (5.2979e-07%) linmin: converged after 4 iterations. iteration 86: trace = 6.746817700601095 (5.29784e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 6.746817697522536 (4.56298e-08% change) large trace change predicted (2.37102e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681525888 (2.37099e-07% change) linmin: converged after 3 iterations. iteration 89: trace = 6.746817679585998 (2.87527e-08% change) large trace change predicted (2.00463e-07%) linmin: converged after 5 iterations. iteration 90: trace = 6.746817666061236 (2.00461e-07% change) linmin: converged after 2 iterations. iteration 91: trace = 6.746817665196682 (1.28142e-08% change) large trace change predicted (1.41911e-07%) linmin: converged after 4 iterations. iteration 92: trace = 6.746817655622248 (1.4191e-07% change) linmin: converged after 17 iterations. iteration 93: trace = 6.746817650411729 (7.72293e-08% change) linmin: converged after 12 iterations. iteration 94: trace = 6.746817646109601 (6.37653e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.746817642963253 (4.66346e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637671451 (7.84341e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.746817631480543 (9.17604e-08% change) linmin: converged after 10 iterations. iteration 98: trace = 6.746817629966978 (2.24338e-08% change) large trace change predicted (5.70944e-08%) linmin: converged after 2 iterations. iteration 99: trace = 6.746817626114885 (5.7095e-08% change) linmin: converged after 17 iterations. iteration 100: trace = 6.746817625977606 (2.03473e-09% change) large trace change predicted (2.67596e-08%) linmin: converged after 5 iterations. iteration 101: trace = 6.746817624172174 (2.67598e-08% change) linmin: converged after 22 iterations. iteration 102: trace = 6.746817624068085 (1.54278e-09% change) large trace change predicted (1.56436e-08%) linmin: converged after 7 iterations. iteration 103: trace = 6.746817623012644 (1.56435e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.746817622718259 (4.36332e-09% change) large trace change predicted (1.38421e-08%) linmin: converged after 6 iterations. iteration 105: trace = 6.746817621784369 (1.38419e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.746817621490314 (4.35842e-09% change) large trace change predicted (1.43849e-08%) linmin: converged after 28 iterations. iteration 107: trace = 6.746817620519799 (1.43848e-08% change) linmin: converged after 3 iterations. iteration 108: trace = 6.746817619917302 (8.9301e-09% change) linmin: converged after 25 iterations. iteration 109: trace = 6.746817619650485 (3.95471e-09% change) linmin: converged after 3 iterations. iteration 110: trace = 6.746817619321106 (4.88198e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 6.746817619217941 (1.5291e-09% change) linmin: converged after 4 iterations. iteration 112: trace = 6.746817619037932 (2.66806e-09% change) linmin: converged after 6 iterations. iteration 113: trace = 6.746817619020788 (2.54113e-10% change) large trace change predicted (3.29654e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618798381 (3.29647e-09% change) linmin: converged after 6 iterations. iteration 115: trace = 6.746817618785322 (1.93556e-10% change) large trace change predicted (2.93736e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618587146 (2.93732e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.746817618578858 (1.22837e-10% change) large trace change predicted (1.26431e-09%) linmin: converged after 5 iterations. iteration 118: trace = 6.74681761849356 (1.26427e-09% change) linmin: converged after 4 iterations. iteration 119: trace = 6.746817618482667 (1.61461e-10% change) large trace change predicted (1.12373e-09%) linmin: converged after 6 iterations. iteration 120: trace = 6.746817618406844 (1.12383e-09% change) linmin: converged after 7 iterations. iteration 121: trace = 6.746817618388674 (2.69317e-10% change) large trace change predicted (1.52852e-09%) linmin: converged after 4 iterations. iteration 122: trace = 6.746817618285548 (1.52851e-09% change) linmin: converged after 8 iterations. iteration 123: trace = 6.746817618267643 (2.65381e-10% change) large trace change predicted (1.02599e-09%) linmin: converged after 11 iterations. iteration 124: trace = 6.746817618198413 (1.02611e-09% change) linmin: converged after 17 iterations. iteration 125: trace = 6.746817618168693 (4.40507e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.74681761816284 (8.67534e-11% change) Finished solving for bands 1 to 8 after 126 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: 1.2232921123504639 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925815234409283 (0.213088% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656975891315 (0.190169% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258821900872 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682956230627 (0.109788% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893478029792926 (0.0464813% change) linmin: converged after 4 iterations. iteration 6: trace = 6.890275010395118 (0.0464753% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887462099207751 (0.0408327% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497544384301 (0.072107% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879291072050971 (0.0465996% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875157051414093 (0.0601118% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798369509272 (0.0343132% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870795131577558 (0.0291516% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868396000996983 (0.0349239% change) linmin: converged after 4 iterations. iteration 14: trace = 6.866214516994017 (0.0317662% change) linmin: converged after 3 iterations. iteration 15: trace = 6.8648401963954 (0.0200177% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049166229721 (0.0115236% change) large trace change predicted (0.0249862%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313360048164 (0.0252916% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715344481975 (0.0232895% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968929391699 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859392054318185 (0.00840965% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827578884293 (0.00822957% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164479413744 (0.00966829% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406216022302 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832858160013 (0.0083615% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491610265241 (0.00497688% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252230045679 (0.00349135% change) linmin: converged after 7 iterations. iteration 27: trace = 6.856048912210766 (0.00296548% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800407983949 (0.00362466% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651431213626 (0.00217303% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512459221966 (0.00202714% change) linmin: converged after 3 iterations. iteration 31: trace = 6.85535572607372 (0.00228626% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230967247739 (0.00181989% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155367812032 (0.00110281% change) linmin: converged after 4 iterations. iteration 34: trace = 6.855094928021598 (0.000881673% change) linmin: converged after 3 iterations. iteration 35: trace = 6.855025224058476 (0.00101682% change) linmin: converged after 3 iterations. iteration 36: trace = 6.854917693332058 (0.00156865% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865494160731 (0.000761488% change) linmin: converged after 10 iterations. iteration 38: trace = 6.854810988796778 (0.000795137% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754435419157 (0.000825021% change) linmin: converged after 3 iterations. iteration 40: trace = 6.85469886595868 (0.000810674% change) linmin: converged after 4 iterations. iteration 41: trace = 6.85463665710598 (0.00090754% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585364235061 (0.000748297% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557545655087 (0.00040584% change) linmin: converged after 7 iterations. iteration 44: trace = 6.854534991532635 (0.000329039% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507852563716 (0.000395928% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474002962056 (0.000493831% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448913960341 (0.000366024% change) linmin: converged after 4 iterations. iteration 48: trace = 6.85443074489841 (0.00026507% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409553373263 (0.000309166% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819642658 (0.000331666% change) linmin: converged after 7 iterations. iteration 51: trace = 6.854372357271573 (0.000210995% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722774655 (0.000125971% change) linmin: converged after 4 iterations. iteration 53: trace = 6.854355940727173 (0.000113534% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218366631 (0.000112664% change) linmin: converged after 3 iterations. iteration 55: trace = 6.854341814976404 (9.34209e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867342416 (7.21825e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981357782 (5.66938e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856420388 (6.018e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.854325493212448 (4.90669e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731135751 (6.94755e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900739638 (4.12936e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 6.85431646672757 (2.09213e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812477588 (2.41344e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.854312708091869 (3.07016e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 6.854310570340025 (3.11884e-05% change) linmin: converged after 4 iterations. iteration 66: trace = 6.854309275755981 (1.88872e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864117509 (2.05949e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.854306225888187 (2.39007e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.854304757636386 (2.14209e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.854304291858821 (6.7954e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980877429 (4.53702e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707037269 (3.99516e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.854303306259426 (5.8471e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028477698 (4.05266e-06% change) linmin: converged after 16 iterations. iteration 75: trace = 6.854302857045925 (2.50108e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716434008 (2.05144e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589340909 (1.85421e-06% change) linmin: converged after 4 iterations. iteration 78: trace = 6.854302422031878 (2.44093e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178683545 (3.5503e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043194312 (1.9767e-06% change) linmin: converged after 4 iterations. iteration 81: trace = 6.854301959886881 (1.2154e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.854301838203168 (1.77529e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701159463 (1.99938e-06% change) linmin: converged after 8 iterations. iteration 84: trace = 6.854301574158776 (1.85286e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492761961 (1.18753e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369189255 (1.80285e-06% change) linmin: converged after 2 iterations. iteration 87: trace = 6.854301206113828 (2.37917e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 6.854301115061377 (1.3284e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.854301061417059 (7.82637e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.854301010589579 (7.41541e-07% change) linmin: converged after 3 iterations. iteration 91: trace = 6.854300954171795 (8.231e-07% change) linmin: converged after 8 iterations. iteration 92: trace = 6.854300910078576 (6.43293e-07% change) linmin: converged after 23 iterations. iteration 93: trace = 6.854300884305797 (3.76009e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873284406 (1.60795e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 6.85430086333125 (1.4521e-07% change) linmin: converged after 3 iterations. iteration 96: trace = 6.854300852293843 (1.61029e-07% change) linmin: converged after 15 iterations. iteration 97: trace = 6.854300845281627 (1.02304e-07% change) linmin: converged after 3 iterations. iteration 98: trace = 6.854300839714783 (8.12168e-08% change) linmin: converged after 4 iterations. iteration 99: trace = 6.854300833150864 (9.57635e-08% change) linmin: converged after 10 iterations. iteration 100: trace = 6.854300824942935 (1.19749e-07% change) linmin: converged after 2 iterations. iteration 101: trace = 6.854300821442731 (5.10658e-08% change) linmin: converged after 2 iterations. iteration 102: trace = 6.854300819412584 (2.96186e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.85430081619701 (4.69132e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854300810981029 (7.60979e-08% change) linmin: converged after 7 iterations. iteration 105: trace = 6.854300805511788 (7.97928e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 6.854300800813029 (6.8552e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854300798649265 (3.1568e-08% change) linmin: converged after 35 iterations. iteration 108: trace = 6.854300795788292 (4.17398e-08% change) large trace change predicted (8.5272e-08%) linmin: converged after 4 iterations. iteration 109: trace = 6.85430078994349 (8.5272e-08% change) linmin: converged after 2 iterations. iteration 110: trace = 6.854300784473837 (7.97988e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782559269 (2.79324e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300780867598 (2.46804e-08% change) linmin: converged after 19 iterations. iteration 113: trace = 6.854300777954083 (4.25064e-08% change) linmin: converged after 2 iterations. iteration 114: trace = 6.854300776021092 (2.82011e-08% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854300775044492 (1.4248e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773893745 (1.67887e-08% change) linmin: converged after 20 iterations. iteration 117: trace = 6.854300773063247 (1.21165e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 6.854300772493748 (8.30863e-09% change) linmin: converged after 5 iterations. iteration 119: trace = 6.854300772094296 (5.82776e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771871199 (3.25485e-09% change) linmin: converged after 2 iterations. iteration 121: trace = 6.854300771709945 (2.3526e-09% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854300771420667 (4.22039e-09% change) linmin: converged after 6 iterations. iteration 123: trace = 6.854300771299101 (1.77357e-09% change) linmin: converged after 10 iterations. iteration 124: trace = 6.8543007712306 (9.99397e-10% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854300771170001 (8.84097e-10% change) linmin: converged after 9 iterations. iteration 126: trace = 6.854300771102273 (9.8811e-10% change) linmin: converged after 7 iterations. iteration 127: trace = 6.8543007710465 (8.13696e-10% change) linmin: converged after 2 iterations. iteration 128: trace = 6.854300771013545 (4.80793e-10% change) linmin: converged after 3 iterations. iteration 129: trace = 6.854300770988956 (3.58741e-10% change) linmin: converged after 10 iterations. iteration 130: trace = 6.854300770974284 (2.14053e-10% change) linmin: converged after 7 iterations. iteration 131: trace = 6.854300770966701 (1.10622e-10% change) linmin: converged after 4 iterations. iteration 132: trace = 6.854300770959932 (9.87657e-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: 0.8947281837463379 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.41652912330374914 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348733495 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290623 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031509 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977566 at Vector3<0.5, 0.5, 0.0> to 0.886344816771213 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485811121 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007038 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606087532 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519733558 at Vector3<0.2, 0.0, 0.0> to 1.2351567679238096 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717657 at Vector3<0.0, 0.0, 0.0> to 1.3135062523646435 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.41652912330374914) to band 2 (0.47328232348733495), 12.756230634760696% Gap from band 4 (0.886344816771213) to band 5 (0.9047498485811121), 2.0551713056750813% total elapsed time for run: 20.766237258911133 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepWcFBDI/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/meepWcFBDI/test_run_te_with_mu_material-0: 21.14s /tmp/meepWcFBDI/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: 0.0023915767669677734 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 = 5.483795574359498 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532215211 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674727943 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153611948 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956216816 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820099367 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110537614 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.38267397992093 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151566 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064873175 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652775129 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327480603 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119498 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479061 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660402 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090859 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190658 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266458 (1.03784e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 4.373722547638335 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.37372198661683 (1.28271e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721450686151 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632524 (5.16845e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.37372118025341 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520021 (1.76815e-07% change) linmin: converged after 21 iterations. iteration 26: trace = 4.373721170365176 (4.9268e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530111 (1.90928e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.373721169259855 (6.17908e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.373721169186878 (1.66852e-09% change) linmin: converged after 15 iterations. iteration 30: trace = 4.373721169145514 (9.45745e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.373721169066987 (1.79544e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966432 (2.29907e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 4.373721168940539 (5.92015e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933666 (1.57137e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.373721168927986 (1.29864e-10% change) linmin: converged after 7 iterations. iteration 36: trace = 4.373721168920071 (1.80957e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904352 (3.59396e-10% change) large trace change predicted (9.95374e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.37372116886083 (9.95091e-10% change) large trace change predicted (4.53482e-09%) linmin: converged after 19 iterations. iteration 39: trace = 4.373721168662469 (4.5353e-09% change) large trace change predicted (2.06992e-08%) linmin: converged after 4 iterations. iteration 40: trace = 4.373721167757164 (2.06987e-08% change) large trace change predicted (8.1261e-08%) linmin: converged after 6 iterations. iteration 41: trace = 4.373721164203094 (8.12596e-08% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721158304369 (1.34867e-07% change) linmin: converged after 20 iterations. iteration 43: trace = 4.373721154431687 (8.85443e-08% change) linmin: converged after 8 iterations. iteration 44: trace = 4.373721151269279 (7.23047e-08% change) large trace change predicted (2.03266e-07%) linmin: converged after 7 iterations. iteration 45: trace = 4.373721142379016 (2.03265e-07% change) large trace change predicted (4.92733e-07%) linmin: converged after 10 iterations. iteration 46: trace = 4.373721120831641 (4.92655e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373721077936541 (9.80746e-07% change) large trace change predicted (2.05475e-06%) linmin: converged after 7 iterations. iteration 48: trace = 4.373720988618654 (2.04215e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903717062 (1.94118e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 4.373720867155414 (8.35939e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.373720856040819 (2.54122e-07% change) linmin: converged after 7 iterations. iteration 52: trace = 4.373720853585386 (5.61406e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.373720853005511 (1.32582e-08% change) linmin: converged after 5 iterations. iteration 54: trace = 4.373720852587126 (9.56589e-09% change) linmin: converged after 7 iterations. iteration 55: trace = 4.373720851987721 (1.37047e-08% change) linmin: converged after 5 iterations. iteration 56: trace = 4.373720851521266 (1.0665e-08% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851245714 (6.30015e-09% change) linmin: converged after 4 iterations. iteration 58: trace = 4.373720851095381 (3.43719e-09% change) linmin: converged after 2 iterations. iteration 59: trace = 4.373720851044165 (1.17099e-09% change) linmin: converged after 18 iterations. iteration 60: trace = 4.373720851034565 (2.195e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 4.373720851032935 (3.72636e-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: 0.24231410026550293 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909595601321 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128652891778 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320141955256 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732193326105 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.2915006533538 (0.0286931% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042415182448 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808983023 (0.00325349% change) linmin: converged after 4 iterations. iteration 8: trace = 4.290872119555777 (0.000715223% change) linmin: converged after 5 iterations. iteration 9: trace = 4.290863227463466 (0.000207233% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496393169 (8.69539e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035161878 (3.40545e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.290857390257354 (1.50297e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285471207 (2.44208e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.29085727195194 (3.15071e-07% change) linmin: converged after 26 iterations. iteration 15: trace = 4.290857267542521 (1.02763e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.290857264554781 (6.96304e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.290857263489023 (2.48379e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 4.290857263236215 (5.89177e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156947 (1.84737e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115615 (9.63243e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096219 (4.52053e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085614 (2.4715e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.290857263081674 (9.18222e-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: 0.12205982208251953 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007797761 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336667296 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.20851974078749 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881260581 (0.00375102% change) linmin: converged after 4 iterations. iteration 5: trace = 4.208319555170553 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621544 (0.000236877% change) linmin: converged after 11 iterations. iteration 7: trace = 4.208308119593186 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.20830796949315 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636429 (2.47788e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537228 (2.35728e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.208307958520757 (3.91378e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.208307958519126 (3.87705e-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: 0.07036566734313965 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019178374 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.150919188029541 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.150508696750737 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631739 (0.00137421% change) linmin: converged after 5 iterations. iteration 5: trace = 4.150445322388961 (0.000152712% change) linmin: converged after 5 iterations. iteration 6: trace = 4.150444374952516 (2.28273e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.150444119567918 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167715 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934405 (2.97151e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836714 (2.35374e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.150444015829237 (1.80163e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828809 (1.03146e-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: 0.07036566734313965 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 5 iterations. iteration 5: trace = 4.11960953614573 (0.000635753% change) linmin: converged after 6 iterations. iteration 6: trace = 4.119601717815909 (0.000189783% change) linmin: converged after 6 iterations. iteration 7: trace = 4.119598937494708 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308935 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539521 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763429 (4.31132e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629697 (3.24624e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.119598598622133 (1.83604e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.119598598621692 (1.07152e-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: 0.07050228118896484 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 = 4.112183070107522 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166957 (0.0241823% change) linmin: converged after 6 iterations. iteration 4: trace = 4.110889360751756 (0.00728306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.110807039964518 (0.00200253% change) linmin: converged after 6 iterations. iteration 6: trace = 4.110783674084837 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.11077773280195 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787366 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125226 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910482 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738067 (4.19422e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727875 (2.4793e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725125 (6.68925e-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: 0.07036638259887695 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 = 4.099504340254173 (0.00301572% change) linmin: converged after 6 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388634 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449425 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.099489966039662 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533705 (3.67352e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.099489964290494 (5.93271e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.099489964275824 (3.5785e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.0994899642748 (2.49804e-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: 0.06543231010437012 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 = 4.080119303675822 (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 = 4.07945294624548 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.079452904344981 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007466 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879315 (2.76545e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.079452895806833 (1.77677e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.079452895803482 (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: 0.060064077377319336 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550775 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.06941588323134 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148267 (0.0131018% change) linmin: converged after 4 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591243 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.068759373276539 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.06875928297324 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.06875927613926 (3.34841e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.068759276129624 (2.36825e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.06543684005737305 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.080410130891641 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235416 (0.0765676% change) linmin: converged after 4 iterations. iteration 3: trace = 4.076189573111654 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758917 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324657 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563657 (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 = 4.075526949795471 (1.83798e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.075526949476023 (7.83819e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61736e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350735 (4.56802e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.07552694934967 (2.61298e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.07553625106811523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815201 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589704 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.09224178066441 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982814 (0.00206873% change) linmin: converged after 4 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.092150666963199 (1.44301e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.092150601221073 (1.60654e-06% change) linmin: converged after 11 iterations. iteration 10: trace = 4.092150512656764 (2.16425e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.092150442817855 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447522 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678674 (1.87883e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.092150433621986 (1.38529e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618252 (9.12672e-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: 0.08091616630554199 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.12649607749576 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341022309 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566110902 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416670072 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154657072 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139221822 (0.011194% change) linmin: converged after 4 iterations. iteration 7: trace = 4.046656969291992 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279933 (0.000102332% change) linmin: converged after 4 iterations. iteration 9: trace = 4.046652402979382 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.046652262576779 (3.4696e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.046652203574178 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.046652185410182 (4.48865e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.046652183788301 (4.00796e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.046652183683064 (2.60059e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677343 (1.4137e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.046652183676487 (2.11583e-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: 0.08927750587463379 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770395016 (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 5 iterations. iteration 5: trace = 4.044514961032809 (0.000246226% change) linmin: converged after 6 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.044513255709432 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601185 (4.22999e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.044513236602915 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418499 (4.55966e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.044513236398145 (5.03259e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.044513236396849 (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: 0.06526064872741699 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.11886725584012 (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 = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902216 (2.31296e-08% change) linmin: converged after 10 iterations. iteration 10: trace = 4.113415259769442 (3.22782e-09% change) linmin: converged after 5 iterations. iteration 11: trace = 4.113415259756539 (3.13692e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.113415259755491 (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: 0.06534790992736816 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177002 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668813 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052034 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995956 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311715 (0.00157809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.240753129287405 (0.000331073% change) linmin: converged after 6 iterations. iteration 7: trace = 4.240750094772399 (7.15561e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.24074964734326 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492667 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080625 (9.71625e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.240749642034734 (1.08215e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.240749642029142 (1.31863e-10% change) linmin: converged after 11 iterations. iteration 14: trace = 4.240749642028247 (2.11115e-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: 0.07585024833679199 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681709215 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022135265 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409946446 (0.0965848% change) linmin: converged after 4 iterations. iteration 4: trace = 4.384518225136 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892389786 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369246647 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906470233 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817310197 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315399441 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837575 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003604 (0.00173939% change) linmin: converged after 4 iterations. iteration 12: trace = 4.373725631015406 (0.000243499% change) linmin: converged after 3 iterations. iteration 13: trace = 4.373723713248078 (4.38475e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373722607982317 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078837 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618416 (3.39437e-06% change) large trace change predicted (8.38718e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772769 (8.38749e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373721775011846 (3.19547e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750854233 (5.52335e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706727 (1.63419e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956164 (4.00246e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.373721741656365 (6.85456e-09% change) linmin: converged after 21 iterations. iteration 24: trace = 4.373721741513577 (3.26468e-09% change) linmin: converged after 15 iterations. iteration 25: trace = 4.3737217414665 (1.07634e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 4.373721741452126 (3.28651e-10% change) linmin: converged after 13 iterations. iteration 27: trace = 4.373721741432792 (4.42046e-10% change) large trace change predicted (8.95071e-10%) linmin: converged after 4 iterations. iteration 28: trace = 4.373721741393646 (8.95038e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.373721741340034 (1.22576e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 4.373721741314156 (5.91669e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.373721741304116 (2.29572e-10% change) large trace change predicted (8.84879e-10%) linmin: converged after 8 iterations. iteration 32: trace = 4.37372174126541 (8.84965e-10% change) large trace change predicted (1.78905e-09%) linmin: converged after 12 iterations. iteration 33: trace = 4.373721741187167 (1.78894e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 4.373721741036669 (3.44095e-09% change) large trace change predicted (3.16551e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652172 (3.16549e-08% change) large trace change predicted (1.81444e-07%) linmin: converged after 25 iterations. iteration 36: trace = 4.373721731717061 (1.81427e-07% change) large trace change predicted (7.42845e-07%) linmin: converged after 7 iterations. iteration 37: trace = 4.37372169925952 (7.42103e-07% change) large trace change predicted (1.8118e-06%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721620576607 (1.79899e-06% change) large trace change predicted (3.98481e-06%) linmin: converged after 8 iterations. iteration 39: trace = 4.373721449984724 (3.90038e-06% change) linmin: converged after 14 iterations. iteration 40: trace = 4.373721352060034 (2.23893e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 4.373721289879797 (1.42168e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 4.373721193450281 (2.20475e-06% change) linmin: converged after 6 iterations. iteration 43: trace = 4.37372112335879 (1.60256e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.373721026063254 (2.22455e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919613542 (2.43385e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 4.373720871356329 (1.10334e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 4.373720860408507 (2.50309e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 4.373720857859519 (5.82796e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720856571284 (2.9454e-08% change) linmin: converged after 5 iterations. iteration 50: trace = 4.373720854520619 (4.6886e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.373720852664143 (4.24461e-08% change) linmin: converged after 4 iterations. iteration 52: trace = 4.373720851890903 (1.76792e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.373720851693617 (4.51073e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644915 (1.1135e-09% change) linmin: converged after 7 iterations. iteration 55: trace = 4.373720851632565 (2.82371e-10% change) linmin: converged after 9 iterations. iteration 56: trace = 4.373720851620734 (2.70491e-10% change) linmin: converged after 5 iterations. iteration 57: trace = 4.373720851605054 (3.58523e-10% change) linmin: converged after 6 iterations. iteration 58: trace = 4.373720851598515 (1.49501e-10% change) linmin: converged after 7 iterations. iteration 59: trace = 4.373720851594641 (8.85798e-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: 0.23038172721862793 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537405 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466357 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370319 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654609 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977237 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542514 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068664 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571238 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251523 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463828 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811317 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064022 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294798 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452598 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537405) to band 2 (0.41711424932466357), 39.0126539564388% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068664), 3.8380005049245294% total elapsed time for run: 1.5228450298309326 done /tmp/meepWcFBDI/test_run_tm-0: 1.53s /tmp/meepWcFBDI/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: 0.0024089813232421875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20862293243408203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.628920316696167 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13721275329589844 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1267390251159668 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.16158151626586914 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.209425687789917 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17249321937561035 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14690327644348145 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12659049034118652 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12142109870910645 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12098503112792969 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09581232070922852 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11133837699890137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.15271735191345215 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17797589302062988 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.36348676681518555 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0656163692474365 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: 0.002275228500366211 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.20215201377868652 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6315097808837891 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13707542419433594 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12901926040649414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1467592716217041 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20958471298217773 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1841421127319336 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14675617218017578 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1264634132385254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12136554718017578 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12092828750610352 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.10147237777709961 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1115415096282959 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.17727351188659668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17775964736938477 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3557460308074951 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.0828402042388916 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: 0.0023179054260253906 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2019634246826172 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6512796878814697 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.13809418678283691 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.12924909591674805 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14778542518615723 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.21044611930847168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17278337478637695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1472618579864502 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12744855880737305 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12169981002807617 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12149953842163086 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09635257720947266 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11158919334411621 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1688060760498047 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1784648895263672 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.3687310218811035 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.09682035446167 done /tmp/meepWcFBDI/test_set_eigenvectors-0: 9.25s /tmp/meepWcFBDI/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: 0.0023779869079589844 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 = 16.67252686302907 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.42560535169006 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638002 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994703 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.792242760915708 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742762 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719284 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801676 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863858 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950193 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281853 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828855 (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 6 iterations. iteration 15: trace = 5.629494146577418 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611411 (0.00283113% change) linmin: converged after 5 iterations. iteration 17: trace = 5.629195179750881 (0.00247974% change) linmin: converged after 6 iterations. iteration 18: trace = 5.629089143350818 (0.0018837% change) linmin: converged after 6 iterations. iteration 19: trace = 5.629015210333755 (0.00131342% change) linmin: converged after 8 iterations. iteration 20: trace = 5.628955227213246 (0.00106561% change) linmin: converged after 4 iterations. iteration 21: trace = 5.628918234635898 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.62889216026521 (0.000463223% change) linmin: converged after 5 iterations. iteration 23: trace = 5.628877918706415 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.628870540676079 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545629 (7.14021e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 5.628864944361847 (2.80196e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 5.628864428335534 (9.1675e-06% change) linmin: converged after 22 iterations. iteration 28: trace = 5.628864254010935 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206596 (9.7363e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 5.628864180871516 (3.25733e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.628864174355822 (1.15755e-07% change) linmin: converged after 16 iterations. iteration 32: trace = 5.628864171803236 (4.53482e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 5.628864170678047 (1.99896e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 5.628864170196786 (8.54988e-09% change) linmin: converged after 12 iterations. iteration 35: trace = 5.628864169964635 (4.12428e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.628864169778798 (3.3015e-09% change) linmin: converged after 16 iterations. iteration 37: trace = 5.628864169602545 (3.13125e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628864169405939 (3.49281e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 5.628864169253108 (2.71514e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 5.628864169153867 (1.76307e-09% change) linmin: converged after 5 iterations. iteration 41: trace = 5.628864169097574 (1.00007e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 5.628864169061679 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036882 (4.40534e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.628864169022907 (2.48283e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 5.628864169016413 (1.15376e-10% change) linmin: converged after 4 iterations. iteration 46: trace = 5.62886416901309 (5.90292e-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: 0.19340944290161133 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.662598383811005 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240618 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918038 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.65210965669949 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959617 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354954 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221767 (0.00509164% change) linmin: converged after 4 iterations. iteration 8: trace = 5.650503338619187 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719868 (0.00129053% change) linmin: converged after 3 iterations. iteration 10: trace = 5.65038726243586 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589034 (0.000313357% change) linmin: converged after 4 iterations. iteration 12: trace = 5.650362805815339 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400669491 (4.25662e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822551345 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570380266 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721529 (1.94074e-06% change) linmin: converged after 9 iterations. iteration 17: trace = 5.650359418358791 (7.49735e-07% change) linmin: converged after 26 iterations. iteration 18: trace = 5.650359402315043 (2.83942e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.650359397610288 (8.32647e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697457 (3.38533e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584322 (1.97002e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 5.650359393286089 (2.29761e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.650359391538195 (3.09342e-08% change) linmin: converged after 13 iterations. iteration 24: trace = 5.650359389901668 (2.89632e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.65035938847515 (2.52465e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 5.650359386380148 (3.70773e-08% change) large trace change predicted (9.58013e-08%) linmin: converged after 7 iterations. iteration 27: trace = 5.650359380966871 (9.58041e-08% change) near maximum in trace linmin: converged after 13 iterations. iteration 28: trace = 5.650291300544182 (0.00120489% change) linmin: converged after 5 iterations. iteration 29: trace = 5.65029122548798 (1.32836e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.650291151177659 (1.31516e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291077634856 (1.30158e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.650291004873859 (1.28774e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 5.650290932902665 (1.27376e-06% change) linmin: converged after 6 iterations. iteration 34: trace = 5.650290861724033 (1.25973e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.650290791336288 (1.24574e-06% change) linmin: converged after 11 iterations. iteration 36: trace = 5.650290721734176 (1.23183e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.650290652909453 (1.21807e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 5.650290584851517 (1.2045e-06% change) linmin: converged after 8 iterations. iteration 39: trace = 5.650290517547842 (1.19115e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290450984466 (1.17805e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 5.650290385146262 (1.16522e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 5.650290320017286 (1.15267e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.650290255581027 (1.14041e-06% change) linmin: converged after 9 iterations. iteration 44: trace = 5.650290191820562 (1.12845e-06% change) linmin: converged after 11 iterations. iteration 45: trace = 5.650290128718762 (1.11679e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290066258426 (1.10544e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 5.650290004422431 (1.09439e-06% change) linmin: converged after 7 iterations. iteration 48: trace = 5.650289943193727 (1.08364e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 5.650289882555489 (1.07319e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 5.650289822491162 (1.06303e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.65028976298449 (1.05316e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 5.650289704019575 (1.04357e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.65028964558086 (1.03426e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.650289587653183 (1.02522e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.650289530221831 (1.01643e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.650289473272395 (1.0079e-06% change) linmin: converged after 9 iterations. iteration 57: trace = 5.650289416790986 (9.9962e-07% change) linmin: converged after 18 iterations. iteration 58: trace = 5.65028936076406 (9.91576e-07% change) linmin: converged after 5 iterations. iteration 59: trace = 5.650289305178481 (9.83765e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289250021538 (9.76179e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 5.650289195280912 (9.68811e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 5.650289140944668 (9.61654e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 5.650289087001255 (9.54702e-07% change) linmin: converged after 5 iterations. iteration 64: trace = 5.65028903343948 (9.47948e-07% change) linmin: converged after 5 iterations. iteration 65: trace = 5.650288980248545 (9.41384e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 5.65028892741796 (9.35007e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.650288874937588 (9.28809e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.650288822797638 (9.22784e-07% change) linmin: converged after 10 iterations. iteration 69: trace = 5.650288770988618 (9.16927e-07% change) resetting CG direction... large trace change predicted (0.0219496%) linmin: converged after 4 iterations. iteration 70: trace = 5.649030453213775 (0.0222725% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291339459421 (0.0130848% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952650283163 (0.00599649% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647730004833795 (0.00394213% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486371443241 (0.00431392% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157556572172 (0.00582249% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835941355349 (0.00569533% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550419097216 (0.00505645% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220697322479 (0.00583952% change) large trace change predicted (0.0119216%) linmin: converged after 4 iterations. iteration 79: trace = 5.645515222605472 (0.0124954% change) large trace change predicted (0.0250156%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058898662774 (0.0257994% change) linmin: converged after 5 iterations. iteration 81: trace = 5.642273418272853 (0.0316397% change) linmin: converged after 7 iterations. iteration 82: trace = 5.640698229046991 (0.0279215% change) linmin: converged after 10 iterations. iteration 83: trace = 5.639845124286611 (0.0151252% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288455926076 (0.00987076% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902663984524 (0.00684138% change) linmin: converged after 4 iterations. iteration 86: trace = 5.638726980542916 (0.00311561% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638875874861 (0.0015625% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595382469209 (0.000771349% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570493379276 (0.000441407% change) linmin: converged after 5 iterations. iteration 90: trace = 5.638555867503221 (0.00025939% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546195098256 (0.000171541% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539565361419 (0.000117579% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535839883233 (6.60717e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 5.638534037906834 (3.19582e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 5.638532922056199 (1.97897e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 5.638532012633342 (1.61287e-05% change) linmin: converged after 5 iterations. iteration 97: trace = 5.638531073861977 (1.66492e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 5.638530026147925 (1.85813e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 5.638528498170678 (2.70989e-05% change) linmin: converged after 9 iterations. iteration 100: trace = 5.638526249666428 (3.98775e-05% change) linmin: converged after 4 iterations. iteration 101: trace = 5.638523966508571 (4.04921e-05% change) linmin: converged after 8 iterations. iteration 102: trace = 5.638521698508527 (4.02233e-05% change) linmin: converged after 4 iterations. iteration 103: trace = 5.63851864966317 (5.40717e-05% change) linmin: converged after 3 iterations. iteration 104: trace = 5.638516669161311 (3.51245e-05% change) linmin: converged after 7 iterations. iteration 105: trace = 5.638515788335753 (1.56216e-05% change) linmin: converged after 5 iterations. iteration 106: trace = 5.63851547572491 (5.5442e-06% change) linmin: converged after 2 iterations. iteration 107: trace = 5.638515353597079 (2.16596e-06% change) linmin: converged after 4 iterations. iteration 108: trace = 5.63851529096919 (1.11072e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251420568 (7.01401e-07% change) linmin: converged after 2 iterations. iteration 110: trace = 5.638515230510031 (3.70852e-07% change) linmin: converged after 8 iterations. iteration 111: trace = 5.638515218981063 (2.04468e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 5.638515214532871 (7.88894e-08% change) linmin: converged after 3 iterations. iteration 113: trace = 5.638515212758284 (3.14726e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211747096 (1.79336e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 5.638515210947248 (1.41854e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 5.638515210025607 (1.63455e-08% change) linmin: converged after 4 iterations. iteration 117: trace = 5.638515209013263 (1.79541e-08% change) linmin: converged after 4 iterations. iteration 118: trace = 5.638515207796816 (2.15739e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206518862 (2.26647e-08% change) linmin: converged after 9 iterations. iteration 120: trace = 5.638515205042059 (2.61913e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202935661 (3.73573e-08% change) linmin: converged after 13 iterations. iteration 122: trace = 5.638515200859693 (3.68176e-08% change) linmin: converged after 2 iterations. iteration 123: trace = 5.638515199091418 (3.13607e-08% change) linmin: converged after 11 iterations. iteration 124: trace = 5.638515198026505 (1.88864e-08% change) linmin: converged after 2 iterations. iteration 125: trace = 5.63851519726914 (1.3432e-08% change) linmin: converged after 9 iterations. iteration 126: trace = 5.638515196711055 (9.89773e-09% change) linmin: converged after 6 iterations. iteration 127: trace = 5.638515196251461 (8.15096e-09% change) linmin: converged after 8 iterations. iteration 128: trace = 5.638515195990948 (4.62025e-09% change) linmin: converged after 4 iterations. iteration 129: trace = 5.638515195870699 (2.13263e-09% change) linmin: converged after 16 iterations. iteration 130: trace = 5.638515195810797 (1.06238e-09% change) linmin: converged after 12 iterations. iteration 131: trace = 5.638515195782601 (5.00063e-10% change) linmin: converged after 3 iterations. iteration 132: trace = 5.638515195769662 (2.29475e-10% change) linmin: converged after 9 iterations. iteration 133: trace = 5.638515195763938 (1.01506e-10% change) linmin: converged after 6 iterations. iteration 134: trace = 5.63851519575992 (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: 0.7303645610809326 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836814149 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920320433 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913819625 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117724308 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090453 (0.00623453% change) linmin: converged after 3 iterations. iteration 6: trace = 5.595227399874277 (0.0015346% change) linmin: converged after 4 iterations. iteration 7: trace = 5.595198313937098 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325957068 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011685369 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202269198 (3.23388e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.595179604043109 (1.06918e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.595179391571353 (3.79741e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.595179311138039 (1.43755e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.595179285473663 (4.58687e-07% change) linmin: converged after 7 iterations. iteration 15: trace = 5.595179276623186 (1.5818e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.595179273689097 (5.24396e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 5.595179272904661 (1.40199e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.595179272581784 (5.77063e-09% change) linmin: converged after 26 iterations. iteration 19: trace = 5.595179272336523 (4.38343e-09% change) linmin: converged after 23 iterations. iteration 20: trace = 5.595179272188357 (2.6481e-09% change) linmin: converged after 19 iterations. iteration 21: trace = 5.595179272063357 (2.23407e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.595179271964552 (1.76589e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.595179271878061 (1.54581e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.595179271843315 (6.21007e-10% change) linmin: converged after 9 iterations. iteration 25: trace = 5.595179271827017 (2.91288e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.595179271819188 (1.39913e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.595179271816549 (4.71775e-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: 0.15740609169006348 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769418363 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358831 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100758248 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.57871395455121 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315896 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291597 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907743 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825508 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250974 (0.000133931% change) linmin: converged after 3 iterations. iteration 10: trace = 5.577903978777094 (3.43225e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.57790346238493 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.577903351821996 (1.98216e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.577903319845029 (5.73279e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.577903310566391 (1.66346e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.577903307418651 (5.64323e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.57790330586166 (2.79135e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.577903305185313 (1.21255e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.577903304857371 (5.87929e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.577903304716061 (2.53339e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.577903304686386 (5.32025e-10% change) linmin: converged after 6 iterations. iteration 21: trace = 5.577903304676377 (1.79438e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.577903304673048 (5.968e-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: 0.16924571990966797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984197449 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174807 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607948289 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424359 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727505 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569330016 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851786 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640585 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820749 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085785 (6.33306e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.594033390558409 (2.99699e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.594032551741137 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184891 (9.8776e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.594031699982706 (5.3486e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.594031556072583 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788913 (1.2564e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.594031455144973 (5.47797e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.594031432706862 (4.01108e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.594031422730703 (1.78336e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.594031418912036 (6.82632e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.594031417677422 (2.20702e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.594031417255708 (7.53863e-09% change) linmin: converged after 21 iterations. iteration 23: trace = 5.594031417032628 (3.98783e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.594031416919615 (2.02024e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.59403141687714 (7.59298e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.594031416862818 (2.56021e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 5.594031416858376 (7.94021e-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: 0.1433417797088623 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023157 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639067475 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.646977452943644 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770243 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073543 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507559722 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.6424752130564 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858954887 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947099 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 3 iterations. iteration 10: trace = 5.641446879081734 (0.0102097% change) linmin: converged after 4 iterations. iteration 11: trace = 5.640440099441647 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644373 (0.0198082% change) linmin: converged after 5 iterations. iteration 13: trace = 5.638404375778257 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718165 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782474 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.637473447569712 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805514 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771835 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785596 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137829 (3.15153e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 5.63741617519638 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685668 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828049 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.637415354832367 (2.3769e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 5.637415208122867 (9.86375e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 5.637415147804338 (1.06997e-06% change) large trace change predicted (2.89725e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984467807 (2.89737e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.637414701465321 (5.02008e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.63741447920706 (3.94256e-06% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6374143824586 (1.71618e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 5.637414352167511 (5.37322e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.637414342883794 (1.6468e-07% change) linmin: converged after 7 iterations. iteration 34: trace = 5.637414340072279 (4.98724e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 5.637414339312609 (1.34755e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.637414338914508 (7.06177e-09% change) linmin: converged after 8 iterations. iteration 37: trace = 5.637414338639296 (4.88188e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 5.63741433845615 (3.24876e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381271 (1.32825e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 5.637414338346882 (6.1002e-10% change) linmin: converged after 10 iterations. iteration 41: trace = 5.63741433831771 (5.17475e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 5.6374143382731 (7.91314e-10% change) linmin: converged after 4 iterations. iteration 43: trace = 5.637414338211377 (1.09488e-09% change) linmin: converged after 5 iterations. iteration 44: trace = 5.637414338111026 (1.78009e-09% change) linmin: converged after 12 iterations. iteration 45: trace = 5.637414338017376 (1.66121e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962036 (9.81667e-10% change) linmin: converged after 4 iterations. iteration 47: trace = 5.637414337944461 (3.11746e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 5.637414337940055 (7.81609e-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: 0.26909852027893066 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.588459961214829 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403008351 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.52707027035016 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661488 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483598363 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529604 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279333 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913061 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845788 (0.00103051% change) linmin: converged after 5 iterations. iteration 10: trace = 5.518965434921119 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752565 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 4 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.518941629485425 (1.02203e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225203 (8.20721e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071679 (2.74573e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.518941376509161 (1.18909e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.518941374239349 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978485 (2.28461e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520777 (8.29341e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.518941372298918 (4.01996e-09% change) linmin: converged after 21 iterations. iteration 23: trace = 5.518941372163226 (2.45865e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.518941372061889 (1.83618e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 5.518941371930683 (2.37738e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759535 (3.10109e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 5.518941371614907 (2.62058e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.518941371516164 (1.78915e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440123 (1.37783e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 5.518941371369823 (1.2738e-09% change) linmin: converged after 6 iterations. iteration 31: trace = 5.518941371330356 (7.15121e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.51894137131681 (2.45439e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.518941371312554 (7.7119e-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: 0.17287182807922363 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35896506923168 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133102615 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.34469453296078 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261596049 (0.0214305% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34291705998689 (0.0118318% change) linmin: converged after 5 iterations. iteration 6: trace = 5.342682889492415 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.342576733772918 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.342540203537991 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593307 (0.00020127% change) linmin: converged after 4 iterations. iteration 10: trace = 5.342525583052355 (7.23916e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.342524762095746 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.34252452841849 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.342524468019513 (1.47951e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.342524466444303 (2.94844e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.342524466019547 (7.95048e-09% change) linmin: converged after 12 iterations. iteration 17: trace = 5.34252446585541 (3.07226e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.342524465750501 (1.96366e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.342524465692873 (1.07868e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655595 (6.97755e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.342524465621588 (6.36543e-10% change) linmin: converged after 8 iterations. iteration 22: trace = 5.342524465595672 (4.85075e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.342524465572265 (4.38127e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.34252446554746 (4.64294e-10% change) linmin: converged after 8 iterations. iteration 25: trace = 5.342524465528073 (3.62884e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.342524465517736 (1.93478e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 5.342524465514547 (5.96993e-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: 0.1419367790222168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365792 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979919 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129137 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803602 (0.00667631% change) linmin: converged after 21 iterations. iteration 5: trace = 5.199636452166112 (0.00319678% change) linmin: converged after 3 iterations. iteration 6: trace = 5.19958877749628 (0.000916889% change) linmin: converged after 4 iterations. iteration 7: trace = 5.199568860655106 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602104 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513296 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338549 (1.6774e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.199556282069329 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771237 (6.59635e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.199556240158941 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716336 (2.77448e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.199556238427382 (5.55728e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.199556238339897 (1.68256e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.1995562383034 (7.01926e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.199556238269374 (6.54387e-10% change) linmin: converged after 2 iterations. iteration 19: trace = 5.199556238207712 (1.18592e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.199556238136203 (1.37527e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.199556238088183 (9.23545e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.199556238072939 (2.93175e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.199556238067977 (9.54361e-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: 0.12270140647888184 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.11388863656097 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653695105 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041819089 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.11017838793575 (0.00355468% change) linmin: converged after 4 iterations. iteration 5: trace = 5.110110328941157 (0.00133184% change) linmin: converged after 5 iterations. iteration 6: trace = 5.110094373675699 (0.00031223% change) linmin: converged after 4 iterations. iteration 7: trace = 5.1100900483862 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959176 (4.11818e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.110087209667763 (1.43694e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.110086882135974 (6.40951e-06% change) linmin: converged after 21 iterations. iteration 11: trace = 5.11008680116282 (1.58457e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.110086778559416 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372887 (1.21065e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.110086770914107 (2.85471e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 5.110086770602332 (6.10116e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.110086770517024 (1.6694e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.110086770480936 (7.0622e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.110086770438308 (8.34196e-10% change) large trace change predicted (2.13468e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.110086770329222 (2.13472e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.11008677023832 (1.77886e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.110086770200716 (7.35872e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192775 (1.55403e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.110086770190959 (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: 0.12299609184265137 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.082968734481184 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009862455 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162840825 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.07988906721134 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786285659 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273904 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056898 (3.57338e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.079827969475376 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733559 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883504 (1.00102e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.079827785437739 (4.02489e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.079827775708199 (1.91533e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.07982777184299 (7.60894e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756301 (2.13922e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.079827770533073 (4.39441e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.079827770466221 (1.31602e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.079827770421277 (8.84764e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346477 (1.47249e-09% change) large trace change predicted (3.34425e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176595 (3.34425e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54017e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.079827770077146 (4.17563e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.07982777007301 (8.14249e-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: 0.11737966537475586 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386812675 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.141638543638194 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.140336824320572 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.13995864440025 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442869 (0.00263751% change) linmin: converged after 4 iterations. iteration 6: trace = 5.13979253351684 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704379 (0.000104222% change) linmin: converged after 5 iterations. iteration 8: trace = 5.139785473947312 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.13978511446722 (6.99407e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 5.139784968056228 (2.84858e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.139784924164504 (8.5396e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 5.139784914516122 (1.8772e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.139784912150696 (4.60219e-08% change) linmin: converged after 20 iterations. iteration 14: trace = 5.139784911632528 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523812 (2.1152e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.139784911497796 (5.06162e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 5.139784911491652 (1.19546e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.139784911490274 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.09648942947387695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.32111385660136 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.312735434600018 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483631198 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.308654602538291 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417103 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200681 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774419 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059672 (0.000267782% change) linmin: converged after 3 iterations. iteration 9: trace = 5.307927410039054 (8.54198e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.307925220166291 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.307924508322336 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765974 (4.36247e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.307924196866911 (1.50528e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.307924180430676 (3.09655e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.307924176022248 (8.30537e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.307924174763168 (2.37208e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.307924174428122 (6.31218e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351113 (1.45084e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.307924174333362 (3.34427e-10% change) linmin: converged after 5 iterations. iteration 20: trace = 5.307924174329594 (7.09817e-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: 0.13374018669128418 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284572752 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670183658 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928014075 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.521192314618145 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504988526 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861471333 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756130803 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.51596827840976 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.51582191892034 (0.00265341% change) linmin: converged after 8 iterations. iteration 10: trace = 5.515731715125277 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319344731 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907816 (0.000154857% change) linmin: converged after 18 iterations. iteration 13: trace = 5.515691983062958 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.51569125967287 (1.31151e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.515690942868895 (5.74369e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.515690845589697 (1.76368e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.515690808935395 (6.64546e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.515690790954525 (3.25995e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.515690782728361 (1.49141e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.515690779523214 (5.81096e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.515690778440394 (1.96316e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.515690778101879 (6.13731e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 5.515690777997053 (1.90051e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.515690777965373 (5.74353e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.515690777958353 (1.27276e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.515690777956149 (3.9967e-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: 0.1374499797821045 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390360509 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271011146 (0.912014% change) linmin: converged after 7 iterations. iteration 3: trace = 5.632522083735357 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.625529518816425 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119591 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214745715 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490829794 (0.00597205% change) linmin: converged after 6 iterations. iteration 8: trace = 5.621208187054783 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602504656 (0.0032304% change) linmin: converged after 3 iterations. iteration 10: trace = 5.620814125084507 (0.00378012% change) linmin: converged after 4 iterations. iteration 11: trace = 5.620629887437326 (0.00327783% change) linmin: converged after 4 iterations. iteration 12: trace = 5.620459427791145 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874572223 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042488 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079247762 (0.000272632% change) linmin: converged after 5 iterations. iteration 16: trace = 5.620311039971268 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265160945 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520928427 (1.32418e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.620308198032441 (5.74516e-06% change) linmin: converged after 25 iterations. iteration 20: trace = 5.620308061371825 (2.43155e-06% change) linmin: converged after 28 iterations. iteration 21: trace = 5.62030800816432 (9.46701e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991488845 (2.967e-07% change) linmin: converged after 16 iterations. iteration 23: trace = 5.62030798413293 (1.30881e-07% change) linmin: converged after 15 iterations. iteration 24: trace = 5.620307981732492 (4.27101e-08% change) linmin: converged after 18 iterations. iteration 25: trace = 5.620307979991597 (3.09751e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.620307977674925 (4.12197e-08% change) linmin: converged after 7 iterations. iteration 27: trace = 5.620307974742916 (5.21681e-08% change) linmin: converged after 8 iterations. iteration 28: trace = 5.620307972553114 (3.89623e-08% change) linmin: converged after 7 iterations. iteration 29: trace = 5.620307971583566 (1.72508e-08% change) linmin: converged after 18 iterations. iteration 30: trace = 5.620307971162831 (7.48599e-09% change) linmin: converged after 22 iterations. iteration 31: trace = 5.620307970956894 (3.66415e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.620307970850901 (1.88589e-09% change) linmin: converged after 9 iterations. iteration 33: trace = 5.62030797080685 (7.83798e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792957 (2.47191e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.620307970788174 (8.50993e-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: 0.18515276908874512 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683451603 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175112305 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561613151 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700194464 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569906077 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199251796 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.66819472649775 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.66786842562779 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.6675941861845 (0.00483861% change) linmin: converged after 4 iterations. iteration 10: trace = 5.667311953677407 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477873005 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 9 iterations. iteration 12: trace = 5.662184718061439 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953595774 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771186393 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443367838 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313333437 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.64382136327952 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397548629 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317467681 (0.0528629% change) linmin: converged after 9 iterations. iteration 20: trace = 5.633934894941973 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468142681 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076571798 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.631516240241075 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940355903 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098068301 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619619355 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621855666 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051222018 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.629605777065762 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361183447 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147463516 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226402765 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024989399 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733962239 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222969405 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867568435 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.62901040805857 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004570774 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468541854 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.628932212762028 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703761721 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770132391 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295238034 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548976092 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203843 (9.63561e-05% change) linmin: converged after 4 iterations. iteration 46: trace = 5.628876480395799 (6.47519e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 5.628873855273482 (4.66367e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 5.628871914588095 (3.44773e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 5.628870173455576 (3.09322e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 5.628868872042931 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579507 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350736 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394947 (1.05697e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 5.628866038937565 (7.70062e-06% change) linmin: converged after 4 iterations. iteration 55: trace = 5.628865733630079 (5.42396e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.628865472838768 (4.63311e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 5.628865257055419 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.62886506735175 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865833 (2.54911e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 5.628864787389212 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742346 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577629025 (1.7608e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681145 (1.52691e-06% change) linmin: converged after 2 iterations. iteration 64: trace = 5.628864423565741 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045513 (9.68583e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 5.628864328357676 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294909969 (5.94218e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268959918 (4.61018e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 5.628864245245506 (4.213e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 5.628864210817873 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.62886418580505 (4.44367e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.628864176497472 (1.65354e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40382e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611666 (3.05265e-08% change) linmin: converged after 2 iterations. iteration 75: trace = 5.628864170125659 (8.63421e-09% change) linmin: converged after 4 iterations. iteration 76: trace = 5.628864169899495 (4.01792e-09% change) linmin: converged after 6 iterations. iteration 77: trace = 5.628864169746249 (2.72251e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 5.628864169565649 (3.20847e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372559 (3.43035e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215241 (2.79484e-09% change) linmin: converged after 9 iterations. iteration 81: trace = 5.628864169115532 (1.77138e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 5.628864169056972 (1.04036e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 5.628864169025807 (5.53669e-10% change) linmin: converged after 2 iterations. iteration 84: trace = 5.628864169015137 (1.89553e-10% change) linmin: converged after 15 iterations. iteration 85: trace = 5.628864169011924 (5.70884e-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: 0.3365960121154785 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.503605801521903 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4446229134706742 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519604 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470332 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911946 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.679388741307638 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542902 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339181 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585608 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117546 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200433 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330805 at Vector3<0.5, 0.5, 0.0> to 1.095802149222103 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854049 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119946 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519604) to band 3 (0.5943566394470332), 0.0021224679105202745% Gap from band 4 (0.8173893719542902) to band 5 (0.8304573822339181), 1.586071064729037% Gap from band 7 (1.095802149222103) to band 8 (1.0974168095854049), 0.14724114587991183% total elapsed time for run: 3.2336292266845703 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: 0.002241849899291992 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 = 13.65344660078472 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902691 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369734 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403802 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716686 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249226 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294317 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196532 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362637 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.49194549144594 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171109 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176243 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.48419093755882 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.483869134875209 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025641 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020278 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.483801141715883 (0.000107795% change) linmin: converged after 6 iterations. iteration 18: trace = 4.4838001474231 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914445 (7.14815e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 4.48379948983839 (7.51764e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967852842 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525221853 (9.87179e-06% change) linmin: converged after 18 iterations. iteration 23: trace = 4.483798337447198 (4.18785e-06% change) linmin: converged after 9 iterations. iteration 24: trace = 4.483798287889993 (1.10525e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.483798277711966 (2.26996e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 4.483798275622594 (4.65982e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798275082755 (1.20398e-08% change) linmin: converged after 15 iterations. iteration 28: trace = 4.483798274908879 (3.87787e-09% change) linmin: converged after 16 iterations. iteration 29: trace = 4.483798274857405 (1.14799e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 4.483798274835555 (4.87312e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.483798274795036 (9.03689e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.483798274730369 (1.44223e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 4.483798274703631 (5.96338e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697112 (1.45375e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.483798274693359 (8.37112e-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: 0.24429869651794434 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.471175093539904 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.4325239887313 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416316156502 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019503924 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350057211 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733734489 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457685281 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753673262 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171484182 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740998185 (0.00137398% change) linmin: converged after 4 iterations. iteration 11: trace = 4.398161708582709 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223623 (9.22968e-05% change) linmin: converged after 6 iterations. iteration 13: trace = 4.398156557280717 (2.48273e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.398156022880022 (1.21506e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.398155752356144 (6.15085e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.398155622499115 (2.95253e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576368094 (1.04887e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776382 (5.364e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 4.398155541734103 (2.51066e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009758 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105952 (4.32865e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.398155533748274 (8.13244e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 4.398155533692957 (1.25774e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670935 (5.00698e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656856 (3.20121e-10% change) linmin: converged after 14 iterations. iteration 26: trace = 4.398155533649996 (1.55961e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.398155533647466 (5.75337e-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: 0.14316415786743164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064838442 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172037746 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488862873 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930484 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819534 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448446 (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 = 4.31446586390868 (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 = 4.314465855768225 (1.59669e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.314465855720846 (1.09814e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.314465855716319 (1.04927e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.314465855715584 (1.70453e-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: 0.07006597518920898 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869056 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762701 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461064 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922876 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302128 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218791 (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 = 4.256363889801438 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602305 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.25258e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.256363888498843 (1.78184e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.256363888498333 (1.19777e-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: 0.06993746757507324 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891607 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314512 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.22627777231779 (0.0143588% change) linmin: converged after 5 iterations. iteration 4: trace = 4.226142669225812 (0.00319679% change) linmin: converged after 6 iterations. iteration 5: trace = 4.226108930204369 (0.000798344% change) linmin: converged after 5 iterations. iteration 6: trace = 4.226098815419117 (0.000239341% change) linmin: converged after 5 iterations. iteration 7: trace = 4.226095681906932 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22609535384979 (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 = 4.226095324437819 (3.17141e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430022 (1.84483e-10% change) linmin: converged after 15 iterations. iteration 13: trace = 4.226095324429571 (1.06764e-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: 0.07013344764709473 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 = 4.21940263495793 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951761 (0.0260571% change) linmin: converged after 4 iterations. iteration 4: trace = 4.217912996839663 (0.00925361% change) linmin: converged after 4 iterations. iteration 5: trace = 4.217806962656701 (0.00251393% change) linmin: converged after 4 iterations. iteration 6: trace = 4.217779234764838 (0.000657403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.217772706280919 (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 = 4.217772182111435 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03792e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.217772179377834 (4.43229e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.217772179362666 (3.59607e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.21777217935519 (1.77245e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.217772179352382 (6.65854e-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: 0.07498621940612793 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 = 4.2070755185799 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729061 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.205437925259355 (0.00290556% change) linmin: converged after 6 iterations. iteration 5: trace = 4.205424978514315 (0.000307858% change) linmin: converged after 3 iterations. iteration 6: trace = 4.205423872193344 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220989 (9.98053e-07% change) linmin: converged after 21 iterations. iteration 8: trace = 4.2054238281752 (4.86464e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042203 (3.1625e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029003 (3.13883e-10% change) linmin: converged after 2 iterations. iteration 11: trace = 4.205423828027402 (3.80791e-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: 0.05990266799926758 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576773 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703081 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295247 (0.0152081% change) linmin: converged after 4 iterations. iteration 4: trace = 4.182595255887837 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.18259232179014 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.182592281925405 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109061 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032476 (1.83104e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.182592281023938 (2.04133e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022644 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.06472396850585938 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921935 (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 4 iterations. iteration 4: trace = 4.167833298187499 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647447 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625675 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608128 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.167811239437254 (2.66197e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.167811239290018 (3.53267e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.16781123928009 (2.38208e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.167811239279437 (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: 0.06536173820495605 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659226 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416326 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398399 (0.038731% change) linmin: converged after 5 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 6 iterations. iteration 6: trace = 4.169023804109911 (0.000153096% change) linmin: converged after 4 iterations. iteration 7: trace = 4.169023362478126 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.169023320812349 (8.29979e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.169023319376684 (3.44365e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 11 iterations. iteration 12: trace = 4.169023318685013 (2.93174e-09% change) linmin: converged after 8 iterations. iteration 13: trace = 4.169023318668826 (3.8827e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.8769e-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: 0.07606363296508789 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141882 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979939 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778519 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121002 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 4 iterations. iteration 7: trace = 4.178673354488493 (4.60024e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.178673127808469 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930247 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328833 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.1786729651701 (2.77297e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.178672965096589 (1.75919e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.178672965089365 (1.72867e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.08176565170288086 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524028 (1.05654% change) linmin: converged after 6 iterations. iteration 2: trace = 4.183207287460696 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860598886 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801933599 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321153 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796172 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194813 (0.00179738% change) linmin: converged after 4 iterations. iteration 8: trace = 4.141013513514382 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787874 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970378 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996669 (6.75528e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.14101257805283 (3.03402e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041209 (2.8063e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036992 (1.01858e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.141012578035554 (3.47034e-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: 0.09238743782043457 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043485757 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504795 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545621 (0.0160227% change) linmin: converged after 4 iterations. iteration 4: trace = 4.141348425305273 (0.00143332% change) linmin: converged after 4 iterations. iteration 5: trace = 4.14133288857122 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855832 (4.87664e-07% change) linmin: converged after 8 iterations. iteration 9: trace = 4.141330405897513 (4.72872e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141330405721701 (4.24531e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.141330405701252 (4.93767e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.141330405700028 (2.95535e-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: 0.06637430191040039 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789271 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631163 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072799 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060029 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.2135214530443 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.213521383766771 (1.64417e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039912 (1.42963e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952433 (2.07616e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.213521375942172 (2.43528e-10% change) linmin: converged after 5 iterations. iteration 12: trace = 4.213521375941404 (1.82125e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.06566143035888672 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252169 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771338 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079406 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185592 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323271 (0.00123443% change) linmin: converged after 4 iterations. iteration 6: trace = 4.345428859007482 (0.000237567% change) linmin: converged after 5 iterations. iteration 7: trace = 4.345426500208691 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439353 (8.48638e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.345426090356748 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357086 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.345426086054451 (6.96443e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.345426086022096 (7.44586e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 4.345426086018988 (7.15174e-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: 0.07317161560058594 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222234 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170425 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449697 (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 = 4.490355890858127 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436565 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992155 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.48426274453973 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156656 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966897 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.483799885096507 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938855 (6.82808e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.483799309165801 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289054 (8.76214e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.483798783128173 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624249 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127839 (1.44886e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798754611385 (3.38207e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.483798754481981 (2.88604e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.48379875445153 (6.79138e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.483798754422124 (6.55824e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798754387676 (7.68277e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356926 (6.85794e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.483798754303908 (1.18244e-09% change) linmin: converged after 14 iterations. iteration 29: trace = 4.483798754278564 (5.65239e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.48379875427172 (1.52645e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.483798754265762 (1.32876e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.483798754244152 (4.81963e-10% change) large trace change predicted (2.68939e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.483798754123566 (2.68938e-09% change) large trace change predicted (9.03519e-09%) linmin: converged after 6 iterations. iteration 34: trace = 4.48379875371845 (9.03509e-09% change) large trace change predicted (3.80043e-08%) linmin: converged after 6 iterations. iteration 35: trace = 4.483798752014424 (3.80041e-08% change) large trace change predicted (1.44448e-07%) linmin: converged after 9 iterations. iteration 36: trace = 4.483798745538206 (1.44436e-07% change) large trace change predicted (4.63389e-07%) linmin: converged after 5 iterations. iteration 37: trace = 4.483798724775092 (4.6307e-07% change) linmin: converged after 17 iterations. iteration 38: trace = 4.483798696718007 (6.25744e-07% change) linmin: converged after 7 iterations. iteration 39: trace = 4.483798668068574 (6.38954e-07% change) linmin: converged after 11 iterations. iteration 40: trace = 4.483798643126061 (5.56281e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621853307 (4.74436e-07% change) large trace change predicted (1.35925e-06%) linmin: converged after 9 iterations. iteration 42: trace = 4.483798561175271 (1.35327e-06% change) large trace change predicted (5.83308e-06%) linmin: converged after 5 iterations. iteration 43: trace = 4.483798313954019 (5.51366e-06% change) linmin: converged after 8 iterations. iteration 44: trace = 4.483798101265542 (4.74349e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058282006 (9.58641e-07% change) linmin: converged after 5 iterations. iteration 46: trace = 4.483798047912103 (2.31275e-07% change) linmin: converged after 3 iterations. iteration 47: trace = 4.48379803971591 (1.82796e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036700286 (6.7256e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.483798033244475 (7.70733e-08% change) linmin: converged after 7 iterations. iteration 50: trace = 4.483798027631956 (1.25173e-07% change) linmin: converged after 7 iterations. iteration 51: trace = 4.483798025313352 (5.17107e-08% change) linmin: converged after 10 iterations. iteration 52: trace = 4.483798024489746 (1.83685e-08% change) linmin: converged after 9 iterations. iteration 53: trace = 4.483798024240056 (5.56872e-09% change) linmin: converged after 5 iterations. iteration 54: trace = 4.483798024202123 (8.46006e-10% change) linmin: converged after 7 iterations. iteration 55: trace = 4.483798024192737 (2.09337e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185391 (1.63837e-10% change) large trace change predicted (3.4438e-10%) linmin: converged after 4 iterations. iteration 57: trace = 4.48379802416995 (3.44373e-10% change) linmin: converged after 5 iterations. iteration 58: trace = 4.48379802415921 (2.39526e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.483798024156444 (6.1684e-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: 0.2293388843536377 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965437 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4206573383997506 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831278 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365973 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128113 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204563995 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480829 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005082 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526807 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822789 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.877011871833075 at Vector3<0.5, 0.0, 0.0> to 0.965325380898162 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598095 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093315 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965437) to band 2 (0.4206573383997506), 38.142822895477686% Gap from band 4 (0.7200918204563995) to band 5 (0.7472029910480829), 3.695395142014446% total elapsed time for run: 1.5505616664886475 done /tmp/meepWcFBDI/test_sq_rods-0: 4.79s /tmp/meepWcFBDI/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: 0.007161855697631836 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 = 0.9888324390217718 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031293 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897934986 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907845 (6.90243% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2726168891850987 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969220782 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2704215716673256 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.26984203626543 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566676298278 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160417429 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778579101 (0.046255% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2687078756602084 (0.014923% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2686863756619342 (0.00800157% change) linmin: converged after 7 iterations. iteration 14: trace = 0.2686684185689672 (0.00668351% change) linmin: converged after 7 iterations. iteration 15: trace = 0.2686570148034194 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052151481 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.2686509505033542 (0.000690377% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308756698 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381175919 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488709534 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062017 (0.000103653% change) linmin: converged after 11 iterations. iteration 22: trace = 0.2686494341954793 (5.0702e-05% change) linmin: converged after 19 iterations. iteration 23: trace = 0.2686493830081527 (1.90536e-05% change) linmin: converged after 9 iterations. iteration 24: trace = 0.2686493569010093 (9.71792e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2686493401671929 (6.22887e-06% change) linmin: converged after 6 iterations. iteration 26: trace = 0.2686493260249408 (5.26421e-06% change) linmin: converged after 8 iterations. iteration 27: trace = 0.2686493177549348 (3.07836e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 0.2686493141307111 (1.34905e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2686493133317643 (2.97394e-07% change) linmin: converged after 19 iterations. iteration 30: trace = 0.2686493131406344 (7.11448e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.2686493130940421 (1.73432e-08% change) linmin: converged after 9 iterations. iteration 32: trace = 0.2686493130827729 (4.19474e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2686493130763732 (2.38218e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.2686493130709035 (2.03599e-09% change) linmin: converged after 5 iterations. iteration 35: trace = 0.2686493130667529 (1.54498e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.2686493130652115 (5.73772e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130646054 (2.2562e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640146 (2.19896e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 0.2686493130635405 (1.76504e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631837 (1.32781e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.2686493130629632 (8.20736e-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: 0.3384861946105957 zparity:, 1, 0.9918457643226338, -0.9993165778920644, 0.926395271368805, 0.7342879853873218 yparity:, 1, -0.9999999941669422, 0.9999999948774904, 0.9999993171459365, -0.9999903437920776 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131395086 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387031912 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100651371 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744609373 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521682404 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550179703 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319979 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784742 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212685 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060104 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452286 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828907 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207733 (4.8372e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 0.6068840418585745 (2.20243e-05% change) linmin: converged after 15 iterations. iteration 16: trace = 0.6068839789046543 (1.03733e-05% change) linmin: converged after 15 iterations. iteration 17: trace = 0.6068839547900683 (3.97351e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 0.6068839452457327 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137335 (4.83124e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794915 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027518 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340779 (6.07487e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282138 (1.74439e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.6068839394969746 (5.14748e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888986 (1.33073e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.6068839394859059 (4.93128e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838388 (3.40613e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 0.6068839394826191 (2.00976e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.6068839394820101 (1.00342e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 0.6068839394817217 (4.75274e-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: 0.24349212646484375 zparity:, 2, 0.8497976290527695, -0.8562083115829556, 0.6135047144565172, 0.704049364345128 yparity:, 2, -0.9999999782411544, 0.9999997901628063, 1.0000058683416102, -0.9999353452620497 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.264470565181606 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229641 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809655 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015785 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510493 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043624 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955794 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.20771981883363 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669004 (0.000337651% change) linmin: converged after 5 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.207704628833396 (1.30611e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 1.207704566628043 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535782967 (2.55402e-06% change) linmin: converged after 6 iterations. iteration 21: trace = 1.207704518965965 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350377 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493665 (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 = 1.207704488731013 (2.69616e-07% change) linmin: converged after 26 iterations. iteration 26: trace = 1.207704487630351 (9.11367e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187942 (3.66322e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 1.207704487019394 (1.3956e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 1.207704486953286 (5.47382e-09% change) linmin: converged after 12 iterations. iteration 30: trace = 1.207704486927154 (2.16381e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 1.207704486920013 (5.9132e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917501 (2.07979e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.61315e-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: 0.2713487148284912 zparity:, 3, 0.643047109774545, -0.5132970564886054, 0.7493332279009369, -0.5174581392304315 yparity:, 3, -1.0000092437102872, 0.9999867307863184, -0.9999773484877517, 0.9999739527336196 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 1.937534840496863 (4.15315% change) linmin: converged after 5 iterations. iteration 2: trace = 1.902810987202154 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028836396 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677885782 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637836647 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797862563 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431335335 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285431048 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886589031 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159806 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357917 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.88320255210318 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261389 (0.000349609% change) linmin: converged after 4 iterations. iteration 14: trace = 1.883193887272419 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.8831931695547 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574141 (1.55045e-05% change) linmin: converged after 22 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151872 (1.8818e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.88319274804274 (5.89909e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 1.88319274474293 (1.75224e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 1.883192743542437 (6.37477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093152 (2.38576e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.883192742911183 (9.66277e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851264 (3.1818e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827558 (1.25879e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.88319274281796 (5.09695e-10% change) linmin: converged after 13 iterations. iteration 27: trace = 1.883192742814809 (1.67301e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.883192742813694 (5.92255e-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: 0.22591590881347656 zparity:, 4, 0.9505599456750937, -0.7953782494198476, 0.29095932960125614, -0.2599400191342861 yparity:, 4, -0.9999756485608148, 0.9999734198098761, -0.9999951573074101, 1.0000024021439402 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 8 iterations. iteration 1: trace = 2.691331240741843 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720194403 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792281026 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156454773 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929165474 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470408486 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.618595095218447 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948424727 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559982933384 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632653921 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668709409 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524589094 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071024877 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354149439 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510488308 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153519916 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749282783 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130106265 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970393 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.60414603370692 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019374 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.60412026062435 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336501 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417358 (0.000117119% change) linmin: converged after 4 iterations. iteration 25: trace = 2.604109427544149 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320795 (5.12737e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 2.604107084206204 (3.87125e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 2.604106651525091 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464841 (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 = 2.604106139753166 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.604106074195848 (2.51746e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 2.604106025604105 (1.86597e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 2.604105990411355 (1.35143e-06% change) linmin: converged after 24 iterations. iteration 35: trace = 2.604105970704686 (7.56754e-07% change) linmin: converged after 12 iterations. iteration 36: trace = 2.60410596202355 (3.33363e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861699 (1.59819e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505251 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483369 (7.76421e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144407 (5.14174e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136499 (3.87046e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.60410595057317 (2.16324e-08% change) linmin: converged after 4 iterations. iteration 43: trace = 2.604105950242602 (1.26941e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072075 (6.54838e-09% change) linmin: converged after 6 iterations. iteration 45: trace = 2.60410594997155 (3.86026e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 2.60410594990949 (2.38315e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 2.604105949872313 (1.42763e-09% change) linmin: converged after 5 iterations. iteration 48: trace = 2.604105949849338 (8.82259e-10% change) linmin: converged after 2 iterations. iteration 49: trace = 2.604105949833427 (6.1099e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 2.604105949821815 (4.45913e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814589 (2.77476e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 2.604105949811262 (1.27781e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 2.604105949809354 (7.32445e-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: 0.4244551658630371 zparity:, 5, 0.989433203646882, -0.9410345597949186, -0.9057097520505684, 0.12590511647804528 yparity:, 5, -0.9999341958043352, 0.9999920496325992, -0.9999957145770425, 1.0000214447210682 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069786555 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355641387 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549835187 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698869295 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158373289 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784712028 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703333 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.17134496696637 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607449 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397912 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524595 (0.000760798% change) linmin: converged after 3 iterations. iteration 12: trace = 3.170977067782432 (0.000242409% change) linmin: converged after 4 iterations. iteration 13: trace = 3.170972828710278 (0.000133684% change) linmin: converged after 4 iterations. iteration 14: trace = 3.170971244290357 (4.99664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 3.170970553226565 (2.17934e-05% change) linmin: converged after 7 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.17097016411005 (3.18205e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.17097012131743 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220458 (5.39172e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225275 (3.15209e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 3.170970088061031 (1.94396e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145867 (9.19329e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 3.170970083948772 (3.77517e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.170970083533349 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397888 (4.2719e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 3.170970083352964 (1.41674e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335018 (5.65935e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 3.170970083326949 (2.54482e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 3.170970083323865 (9.72496e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.23717093467712402 zparity:, 6, 0.9953267395060865, -0.9730766670052251, -0.9862479112205113, 0.7878496623745026 yparity:, 6, -0.9999079119736635, 0.9999964725102661, -1.0000003774904456, 1.0001762821190752 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.705421766618187 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.68025129796297 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008001471 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331046656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312337 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936443 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636289 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.666150582978069 (0.00183206% change) linmin: converged after 4 iterations. iteration 9: trace = 3.666126412642419 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925816 (0.00020094% change) linmin: converged after 4 iterations. iteration 11: trace = 3.666116142667234 (7.91916e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 3.666115478266017 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515096 (1.8418e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 3.666115174200301 (4.45016e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 28 iterations. iteration 17: trace = 3.666115167850356 (3.89947e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 3.666115167237357 (1.67207e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 3.666115166888853 (9.50608e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571147 (8.66601e-09% change) large trace change predicted (1.87211e-08%) linmin: converged after 27 iterations. iteration 21: trace = 3.666115165884813 (1.8721e-08% change) large trace change predicted (4.39605e-08%) linmin: converged after 4 iterations. iteration 22: trace = 3.66611516427316 (4.39608e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 3.666115161714998 (6.97785e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 3.666115159305636 (6.57198e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 3.666115157581591 (4.70265e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 3.666115156371117 (3.30179e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 3.666115155743587 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488852 (6.94835e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 3.666115155416268 (1.97988e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 3.666115155394749 (5.86964e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 3.666115155388821 (1.61689e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 3.666115155387485 (3.64612e-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: 0.28168749809265137 zparity:, 7, 0.9973241081199105, -0.9843536270515989, -0.9920656947487942, 0.9432892229296927 yparity:, 7, -0.9998843493066252, 0.9999987176029624, -1.000004228954917, 1.0002512952520046 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.17924835828994 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338438512 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135768 (0.0480929% change) linmin: converged after 4 iterations. iteration 4: trace = 4.164897072710296 (0.0211109% change) linmin: converged after 4 iterations. iteration 5: trace = 4.16463793635884 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201569148 (0.00460398% change) linmin: converged after 18 iterations. iteration 7: trace = 4.164369177258282 (0.00184959% change) linmin: converged after 3 iterations. iteration 8: trace = 4.164344541357959 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.164337522751429 (0.000168541% change) linmin: converged after 5 iterations. iteration 10: trace = 4.164335843810953 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889893 (1.2269e-05% change) linmin: converged after 10 iterations. iteration 12: trace = 4.164335230991141 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539677 (6.83217e-07% change) linmin: converged after 16 iterations. iteration 14: trace = 4.164335187756985 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171933216 (3.79983e-07% change) large trace change predicted (1.02271e-06%) linmin: converged after 14 iterations. iteration 16: trace = 4.16433512934425 (1.02271e-06% change) large trace change predicted (8.89356e-06%) linmin: converged after 3 iterations. iteration 17: trace = 4.164334759045941 (8.89214e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 18: trace = 4.163167549844365 (0.0280326% change) linmin: converged after 5 iterations. iteration 19: trace = 4.163166839745339 (1.70567e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 4.16316612720183 (1.71154e-05% change) linmin: converged after 9 iterations. iteration 21: trace = 4.163165412456587 (1.71683e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 4.163164695724372 (1.7216e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 4.163163977193473 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163257027329 (1.72985e-05% change) linmin: converged after 7 iterations. iteration 25: trace = 4.163162535366192 (1.73344e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.163161812328711 (1.73675e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.163161088013696 (1.73982e-05% change) linmin: converged after 7 iterations. iteration 28: trace = 4.163160362501539 (1.7427e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.163159635855712 (1.74542e-05% change) linmin: converged after 7 iterations. iteration 30: trace = 4.163158908088199 (1.74811e-05% change) linmin: converged after 14 iterations. iteration 31: trace = 4.163158179272759 (1.75063e-05% change) linmin: converged after 7 iterations. iteration 32: trace = 4.16315744945975 (1.75303e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.16315671860001 (1.75554e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 4.163155986744807 (1.75793e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.163155253857619 (1.76041e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154519919397 (1.76294e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153784903376 (1.76553e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.16315304877585 (1.7682e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 4.163152311496832 (1.77096e-05% change) linmin: converged after 11 iterations. iteration 40: trace = 4.163151573020799 (1.77384e-05% change) linmin: converged after 5 iterations. iteration 41: trace = 4.163150833294633 (1.77684e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150092268344 (1.77997e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 4.16314934988036 (1.78324e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 4.163148606068114 (1.78666e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 4.163147860765871 (1.79024e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 4.16314711390508 (1.79398e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.163146365414725 (1.7979e-05% change) linmin: converged after 8 iterations. iteration 48: trace = 4.163145615221604 (1.80199e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.163144863250575 (1.80626e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144109424817 (1.81071e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.163143353701334 (1.81527e-05% change) linmin: converged after 9 iterations. iteration 52: trace = 4.163142595929883 (1.82019e-05% change) linmin: converged after 11 iterations. iteration 53: trace = 4.163141836065073 (1.82522e-05% change) linmin: converged after 14 iterations. iteration 54: trace = 4.163141074025241 (1.83044e-05% change) linmin: converged after 6 iterations. iteration 55: trace = 4.163140309727903 (1.83587e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.163139543089895 (1.84149e-05% change) linmin: converged after 7 iterations. iteration 57: trace = 4.16313877402747 (1.84731e-05% change) linmin: converged after 6 iterations. iteration 58: trace = 4.163138002456415 (1.85334e-05% change) linmin: converged after 7 iterations. iteration 59: trace = 4.163137228292157 (1.85957e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 4.163136451449866 (1.866e-05% change) linmin: converged after 7 iterations. iteration 61: trace = 4.163135671844461 (1.87264e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.163134889390828 (1.87948e-05% change) linmin: converged after 7 iterations. iteration 63: trace = 4.16313410400373 (1.88653e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.163133315597999 (1.89378e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 4.163132524088551 (1.90124e-05% change) linmin: converged after 8 iterations. iteration 66: trace = 4.16313172939042 (1.90889e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 4.163130931418892 (1.91676e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 4.163130130089498 (1.92482e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 4.163129325318077 (1.93309e-05% change) resetting CG direction... large trace change predicted (0.200482%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754165838258 (0.201377% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730700847364 (0.0727977% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327672544867 (0.0337995% change) linmin: converged after 3 iterations. iteration 73: trace = 4.14956429596401 (0.0183949% change) linmin: converged after 11 iterations. iteration 74: trace = 4.149045161300373 (0.0125114% change) linmin: converged after 3 iterations. iteration 75: trace = 4.14854068579477 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.14791298156704 (0.0151319% change) linmin: converged after 4 iterations. iteration 77: trace = 4.14696330852402 (0.0228978% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419633786531 (0.0372311% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768407747646 (0.0398405% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813615471299 (0.0230443% change) linmin: converged after 3 iterations. iteration 81: trace = 4.142427718831525 (0.00931528% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326627788 (0.00285808% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291613695 (0.000942354% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228144231 (0.000267087% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098389168 (0.00012384% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825355854 (5.48743e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854426509 (2.34397e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458128241 (9.56722e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 4.142250015906153 (1.06759e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199657652 (1.97054e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059456532 (2.75261e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.142246315169513 (4.21097e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417566345 (2.16695e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 4.142245181151683 (5.7074e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107963021 (1.76688e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088101923 (4.79477e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893676 (2.70584e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.14224507166945 (1.26121e-07% change) linmin: converged after 3 iterations. iteration 99: trace = 4.142245069755773 (4.6199e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000499 (1.82334e-08% change) linmin: converged after 2 iterations. iteration 101: trace = 4.142245068687316 (7.56069e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.142245068426481 (6.29695e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.142245068025393 (9.68287e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241662 (1.89204e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287545 (2.30338e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572558 (1.72609e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259741 (7.55188e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.142245065162611 (2.34485e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142519 (4.8506e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 4.142245065136628 (1.42203e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 4.142245065134231 (5.78718e-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: 0.9087715148925781 zparity:, 8, 0.9982486290503901, -0.9895791223045428, -0.9942480254115191, -0.9858374395352655 yparity:, 8, -0.9998633636072632, 1.0000002772665169, -1.0000094946200577, -0.9998446077371536 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874983 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826615 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438801 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658710963539843 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855447 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.658683256679823 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128451 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170781 (3.60526e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.658682176904295 (1.03605e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.658682160894806 (3.43648e-07% change) linmin: converged after 6 iterations. iteration 11: trace = 4.658682157651013 (6.9629e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.658682156823367 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624828 (4.26172e-09% change) linmin: converged after 5 iterations. iteration 14: trace = 4.658682156534686 (1.93491e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472836 (1.32763e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.658682156406852 (1.41638e-09% change) linmin: converged after 16 iterations. iteration 17: trace = 4.658682156300642 (2.27981e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 4.658682156170641 (2.79053e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 4.658682156060236 (2.36988e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.658682156016939 (9.29381e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004977 (2.56768e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 4.658682156001962 (6.47067e-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: 0.17832541465759277 zparity:, 9, 0.9987530861904854, -0.9924225574132964, -0.995415920790763, -0.9908510257238302 yparity:, 9, -0.9998459146893232, 1.0000015100368125, -1.0000160082784346, -0.9998409671135013 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684418 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996173 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030676 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241142 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252776 (0.000386828% change) linmin: converged after 4 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.22582213202447 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.22582199794199 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503557 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532262 (2.67351e-07% change) linmin: converged after 22 iterations. iteration 11: trace = 5.225821943078983 (6.60811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125425 (1.8247e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909167 (4.13824e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839999 (1.32359e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 5.225821941820714 (3.69033e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.225821941816037 (8.95007e-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: 0.13367414474487305 zparity:, 10, 0.9990584518844072, -0.9941385054596943, -0.9961444762112248, -0.9934909746545189 yparity:, 10, -0.9998332718977166, 1.0000025246212394, -1.000023092333594, -0.9998348121387619 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654928 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.845548946596226 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013057 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146361 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450396 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856533 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.844970368036913 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 17 iterations. iteration 10: trace = 5.844970316460035 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633009 (6.54755e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596867 (1.77271e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 5.844970311355165 (4.13521e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278135 (1.31788e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 5.844970311258 (3.44484e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 5.844970311253999 (6.84562e-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: 0.13241982460021973 zparity:, 11, 0.9992573509363838, -0.9952507980579904, -0.9966396089669461, -0.9950905165813236 yparity:, 11, -0.9998264814151185, 1.0000033584035104, -1.0000301573652741, -0.9998331550674222 Band 1 range: 0.08075820534047551 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106404 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125197 at Vector3<0.1, 0.0, 0.0> to 1.104285309790447 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.31469968003306087 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738524 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434570146 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201507 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 3.3852014541625977 done /tmp/meepWcFBDI/test_strip-0: 3.44s /tmp/meepWcFBDI/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: 0.002382516860961914 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590547 (193.917% change) linmin: converged after 10 iterations. iteration 2: trace = 7.351920811739586 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682069 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744756 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.71225505162923 (3.54557% change) linmin: converged after 6 iterations. iteration 6: trace = 5.624721697129464 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267835 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646052 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900361 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308031 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.55007101706116 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.549667865135754 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470316 (0.00448265% change) linmin: converged after 4 iterations. iteration 15: trace = 5.549201514030329 (0.00392093% change) linmin: converged after 4 iterations. iteration 16: trace = 5.549037844744935 (0.00294946% change) linmin: converged after 5 iterations. iteration 17: trace = 5.548889740784545 (0.00266904% change) linmin: converged after 7 iterations. iteration 18: trace = 5.548754804761407 (0.0024318% change) linmin: converged after 5 iterations. iteration 19: trace = 5.548644091156492 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364287704 (0.00215779% change) linmin: converged after 6 iterations. iteration 21: trace = 5.548418602727871 (0.00190614% change) linmin: converged after 7 iterations. iteration 22: trace = 5.548317934236275 (0.00181438% change) linmin: converged after 5 iterations. iteration 23: trace = 5.548235771344938 (0.00148087% change) linmin: converged after 6 iterations. iteration 24: trace = 5.548181174456987 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653666083 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760296 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542812 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956469 (4.17725e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 5.54811817000471 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.54811790402576 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474675 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294465 (7.42237e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 5.548117740307374 (3.06178e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319874 (1.25944e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 5.548117730674448 (4.76815e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 5.548117729177028 (2.69897e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 5.548117728234736 (1.6984e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 5.548117727523375 (1.28217e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 5.548117726999175 (9.44825e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687183 (5.62339e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.548117726496086 (3.44436e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360593 (2.44215e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206073 (2.78507e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 5.548117726001961 (3.67895e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 5.548117725798107 (3.67429e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 5.548117725621664 (3.18025e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481569 (2.52508e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54811772539829 (1.50103e-09% change) linmin: converged after 2 iterations. iteration 49: trace = 5.548117725355055 (7.79285e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 5.54811772533527 (3.56593e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327504 (1.3998e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.26517319679260254 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696139 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490176 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957531 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526752 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.56909978696668 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299232 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122077 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864464 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607944 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 10 iterations. iteration 11: trace = 5.567431480620309 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766486 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215306691 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393546 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.56740918600353 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969181 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891783 (2.19271e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106213 (9.66079e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724619 (3.30164e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.567408695925291 (1.58051e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.567408689562809 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.567408680883099 (1.55902e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017839 (2.67005e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 5.567408645087859 (3.75938e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 5.567408614757005 (5.44793e-07% change) large trace change predicted (2.01091e-06%) linmin: converged after 6 iterations. iteration 26: trace = 5.567408502816999 (2.01063e-06% change) near maximum in trace linmin: converged after 14 iterations. iteration 27: trace = 5.566934864115716 (0.00850771% change) linmin: converged after 7 iterations. iteration 28: trace = 5.56693455894026 (5.48193e-06% change) linmin: converged after 6 iterations. iteration 29: trace = 5.566934253748923 (5.48222e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.566933948640827 (5.48072e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693364370203 (5.47768e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 5.566933339006504 (5.47331e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933034617119 (5.46781e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 5.56693273058654 (5.46137e-06% change) linmin: converged after 18 iterations. iteration 35: trace = 5.566932426958211 (5.45414e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.566932123755115 (5.4465e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 5.56693182102872 (5.43794e-06% change) linmin: converged after 8 iterations. iteration 38: trace = 5.56693151878762 (5.42922e-06% change) linmin: converged after 11 iterations. iteration 39: trace = 5.566931217046289 (5.42025e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 5.566930915808238 (5.4112e-06% change) linmin: converged after 5 iterations. iteration 41: trace = 5.566930615088585 (5.40189e-06% change) linmin: converged after 8 iterations. iteration 42: trace = 5.566930314881681 (5.39268e-06% change) linmin: converged after 7 iterations. iteration 43: trace = 5.566930015183506 (5.38354e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929715986684 (5.37454e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929417280877 (5.36572e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.566929119053187 (5.35713e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 5.566928821288415 (5.34882e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.566928523969433 (5.34081e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928227077405 (5.33314e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927930592069 (5.32583e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927634491906 (5.31892e-06% change) linmin: converged after 5 iterations. iteration 52: trace = 5.566927338754388 (5.3124e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927043356067 (5.30631e-06% change) linmin: converged after 7 iterations. iteration 54: trace = 5.566926748272792 (5.30065e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.566926453479839 (5.29543e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.56692615895197 (5.29067e-06% change) linmin: converged after 13 iterations. iteration 57: trace = 5.566925864663627 (5.28637e-06% change) linmin: converged after 8 iterations. iteration 58: trace = 5.56692557058889 (5.28253e-06% change) linmin: converged after 9 iterations. iteration 59: trace = 5.566925276701851 (5.27916e-06% change) linmin: converged after 10 iterations. iteration 60: trace = 5.566924982976234 (5.27626e-06% change) linmin: converged after 9 iterations. iteration 61: trace = 5.566924689385546 (5.27384e-06% change) linmin: converged after 7 iterations. iteration 62: trace = 5.566924395904133 (5.27188e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924102505536 (5.27039e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 5.566923809157628 (5.26948e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923515846417 (5.26882e-06% change) linmin: converged after 11 iterations. iteration 66: trace = 5.566923222540094 (5.26873e-06% change) linmin: converged after 7 iterations. iteration 67: trace = 5.566922929208709 (5.26918e-06% change) linmin: converged after 8 iterations. iteration 68: trace = 5.566922635835362 (5.26994e-06% change) linmin: converged after 4 iterations. iteration 69: trace = 5.566922342387206 (5.27128e-06% change) resetting CG direction... large trace change predicted (0.0754153%) linmin: converged after 3 iterations. iteration 70: trace = 5.56271874705908 (0.0755387% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516837232013 (0.0575767% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793201292189 (0.0490025% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012052210301 (0.0500621% change) linmin: converged after 4 iterations. iteration 74: trace = 5.55200707598812 (0.0361061% change) linmin: converged after 4 iterations. iteration 75: trace = 5.5505490275466 (0.0262651% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458416684856 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474971581737 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115176673092 (0.0245105% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236344582398 (0.0338762% change) linmin: converged after 5 iterations. iteration 80: trace = 5.543229076780969 (0.0362046% change) linmin: converged after 5 iterations. iteration 81: trace = 5.541884443970972 (0.0242602% change) linmin: converged after 4 iterations. iteration 82: trace = 5.5412401350738 (0.0116268% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832156802413 (0.00736285% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632123616665 (0.00361023% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055122872142 (0.00146004% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984200104 (0.000600024% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595205405 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181328797 (7.96656e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501521725783 (2.9954e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 5.540500790090676 (1.32052e-05% change) linmin: converged after 4 iterations. iteration 91: trace = 5.540500268679017 (9.41091e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499831844418 (7.88439e-06% change) linmin: converged after 17 iterations. iteration 93: trace = 5.540499529171007 (5.46293e-06% change) linmin: converged after 3 iterations. iteration 94: trace = 5.540499206997079 (5.81489e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.540498785157311 (7.61375e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246052616 (9.73026e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 5.54049771646686 (9.55845e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 5.540497530061872 (3.36441e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 5.540497433478793 (1.74322e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 5.540497373260899 (1.08687e-06% change) linmin: converged after 2 iterations. iteration 101: trace = 5.540497321021169 (9.42871e-07% change) linmin: converged after 4 iterations. iteration 102: trace = 5.540497282526865 (6.94781e-07% change) linmin: converged after 20 iterations. iteration 103: trace = 5.540497260437633 (3.98687e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.54049725024212 (1.84018e-07% change) linmin: converged after 6 iterations. iteration 105: trace = 5.540497245841364 (7.94289e-08% change) linmin: converged after 6 iterations. iteration 106: trace = 5.540497244298029 (2.78555e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243577487 (1.3005e-08% change) linmin: converged after 2 iterations. iteration 108: trace = 5.540497243251938 (5.87581e-09% change) linmin: converged after 11 iterations. iteration 109: trace = 5.540497243063194 (3.40663e-09% change) linmin: converged after 10 iterations. iteration 110: trace = 5.540497242957749 (1.90316e-09% change) linmin: converged after 6 iterations. iteration 111: trace = 5.540497242914255 (7.85022e-10% change) linmin: converged after 11 iterations. iteration 112: trace = 5.540497242879294 (6.31015e-10% change) linmin: converged after 10 iterations. iteration 113: trace = 5.54049724284396 (6.37732e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790162 (9.70993e-10% change) linmin: converged after 13 iterations. iteration 115: trace = 5.540497242723087 (1.21064e-09% change) linmin: converged after 9 iterations. iteration 116: trace = 5.540497242658406 (1.16742e-09% change) linmin: converged after 17 iterations. iteration 117: trace = 5.540497242618868 (7.13621e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 5.540497242597715 (3.81802e-10% change) linmin: converged after 7 iterations. iteration 119: trace = 5.540497242587053 (1.92432e-10% change) linmin: converged after 7 iterations. iteration 120: trace = 5.54049724258151 (1.00047e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 5.540497242579405 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6260929107666016 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081903405 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029232433 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358021253 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093769793 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680599982 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472785 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.499394110717509 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903578 (0.000212893% change) linmin: converged after 4 iterations. iteration 9: trace = 5.499378154644908 (7.72498e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.499376203354402 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158954 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065391 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510669 (2.44673e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 5.499374968565687 (8.71826e-07% change) linmin: converged after 28 iterations. iteration 15: trace = 5.499374952684476 (2.88782e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.499374947904296 (8.69222e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.499374946845081 (1.92606e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.499374946585442 (4.72125e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.49937494645959 (2.28847e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.499374946407673 (9.44063e-10% change) linmin: converged after 14 iterations. iteration 21: trace = 5.499374946373184 (6.27141e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.49937494634334 (5.42674e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.499374946309963 (6.06921e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 5.499374946288365 (3.92749e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 5.499374946279785 (1.56014e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 5.499374946276068 (6.759e-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: 0.14211368560791016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070061396 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109185759 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111945804 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972082 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009582939 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149324 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235682 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.485469772634484 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450169 (0.000140848% change) linmin: converged after 10 iterations. iteration 10: trace = 5.485459952535448 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740714 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.485459123224529 (9.57371e-07% change) linmin: converged after 9 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.485459090161696 (1.94971e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.485459083892919 (1.1428e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.485459081556677 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639316 (1.67235e-08% change) linmin: converged after 5 iterations. iteration 19: trace = 5.48545908025817 (6.94831e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162867 (1.73736e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117767 (8.22172e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.485459080098432 (3.52473e-10% change) linmin: converged after 17 iterations. iteration 23: trace = 5.485459080091238 (1.31151e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.13946986198425293 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023691308 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601565026 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987786144 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.50615680929447 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436841 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668735 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729381 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832034 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535186 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715459 (0.000137015% change) linmin: converged after 5 iterations. iteration 11: trace = 5.504370385451017 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323755 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496843 (4.82858e-05% change) linmin: converged after 18 iterations. iteration 14: trace = 5.504362897098134 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759306 (8.49033e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.50436223927765 (3.46056e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.504362167575554 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909871 (8.29627e-07% change) linmin: converged after 16 iterations. iteration 19: trace = 5.504362102222029 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716719 (1.18185e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.504362093490902 (4.04373e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750772 (1.34462e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.504362092362589 (7.05228e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 5.504362092126037 (4.29754e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 5.504362092030179 (1.7415e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.50436209199531 (6.33463e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.504362091984243 (2.01069e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.14898896217346191 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373810331 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679616602 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061371982 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343175331 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553177174 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996597672 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367562867 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.54443811273873 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533684849 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443897 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116715012 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259953 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189923 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693507 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652983 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689275 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294858 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327784 (2.29283e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538868254295129 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490531 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344398 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765342 (3.188e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.538867392460336 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536019 (1.9846e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196566915 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786912 (1.60285e-06% change) linmin: converged after 18 iterations. iteration 28: trace = 5.538866990688319 (2.11413e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.538866904153274 (1.56232e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.538866877339769 (4.84097e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035422 (1.1382e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869548946 (2.68372e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.538866869089641 (8.29241e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 5.538866868883638 (3.71921e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762462 (2.18774e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.53886686869304 (1.25337e-09% change) linmin: converged after 7 iterations. iteration 37: trace = 5.538866868641483 (9.30822e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 5.53886686861515 (4.75417e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 5.538866868605585 (1.72685e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20931267738342285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. iteration 11: trace = 5.419810483685045 (0.000321077% change) linmin: converged after 5 iterations. iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772234243 (1.45097e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.4197977484627 (4.38606e-07% change) linmin: converged after 24 iterations. iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.419797735536185 (5.46021e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733207694 (4.44789e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.419797733037144 (3.8475e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.419797733021104 (2.95945e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.419797733006833 (2.63317e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797732997613 (1.7012e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797732989884 (1.42605e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.41979773298165 (1.5193e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.419797732971225 (1.92342e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 5.419797732962824 (1.55011e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.17610430717468262 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.240853949553741 (2.26685e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949178232 (7.16504e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.24085394903061 (2.81674e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.240853948975943 (1.0431e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.240853948833452 (9.44892e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.14748835563659668 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.096616721986498 (0.00298415% change) linmin: converged after 7 iterations. iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283731 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659969 (2.58583e-07% change) linmin: converged after 21 iterations. iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71733e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707479 (1.16761e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621832 (9.92175e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.096544273547281 (1.46279e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426184 (7.40093e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.09654427341449 (2.29445e-10% change) linmin: converged after 8 iterations. iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1289510726928711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.00643649671343 (1.98453e-09% change) linmin: converged after 11 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.00643649641007 (2.2491e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.006436496357247 (1.05511e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.006436496344438 (2.55839e-10% change) linmin: converged after 24 iterations. iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.12384295463562012 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.97598426539333 (6.73936e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 4.975984265384498 (1.77493e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.12214159965515137 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.036378780323868 (1.07603e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.036378479954636 (3.44965e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909359 (8.98993e-10% change) linmin: converged after 9 iterations. iteration 17: trace = 5.036378479898018 (2.25185e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09742999076843262 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181518 (0.00049% change) linmin: converged after 3 iterations. iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491538 (5.87636e-06% change) linmin: converged after 19 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808213 (9.81445e-08% change) linmin: converged after 23 iterations. iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040195 (8.97108e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927625 (2.16209e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.206566305893732 (1.21237e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.11198806762695312 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.417088858207656 (2.46482e-06% change) linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.417088767370207 (1.75545e-08% change) linmin: converged after 7 iterations. iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.417088766462991 (1.69105e-09% change) linmin: converged after 6 iterations. iteration 27: trace = 5.417088766423705 (7.25238e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.23376727104187012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178965626 (1.22609% change) linmin: converged after 8 iterations. iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563138 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032011 (7.07264e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 5.522267645965355 (5.88553e-09% change) linmin: converged after 21 iterations. iteration 30: trace = 5.522267645803386 (2.93302e-09% change) linmin: converged after 9 iterations. iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. iteration 32: trace = 5.52226764567925 (6.79724e-10% change) linmin: converged after 17 iterations. iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17826342582702637 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244594976 (0.0243696% change) linmin: converged after 7 iterations. iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695188941215 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373788221 (0.000391252% change) linmin: converged after 12 iterations. iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.548117729428171 (2.20953e-07% change) linmin: converged after 15 iterations. iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. iteration 92: trace = 5.548117725327035 (1.4006e-10% change) linmin: converged after 2 iterations. iteration 93: trace = 5.548117725324985 (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: 0.36122608184814453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% total elapsed time for run: 3.215769052505493 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepWcFBDI/test_subpixel_averaging-0-epsilon.h5... /tmp/meepWcFBDI/test_subpixel_averaging-0: 3.24s /tmp/meepWcFBDI/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: 0.09364128112792969 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 = 15.74021454795458 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.09015215390582 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.397526829565321 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145763601406157 (11.0829% change) linmin: converged after 5 iterations. iteration 5: trace = 2.06831850771998 (3.67554% change) linmin: converged after 6 iterations. iteration 6: trace = 2.048483459999099 (0.963614% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043455258268424 (0.245761% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041243206858569 (0.108309% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040710717019449 (0.0260899% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040469161739678 (0.0118375% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040387611093858 (0.00399674% change) linmin: converged after 4 iterations. iteration 12: trace = 2.040356657159318 (0.00151707% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040343715890501 (0.000634267% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040339624059236 (0.000200546% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040338699701105 (4.53041e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040338352406402 (1.70214e-05% change) linmin: converged after 8 iterations. iteration 17: trace = 2.040338256905964 (4.68062e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040338218699798 (1.87254e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 2.040338200469402 (8.93499e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040338194299389 (3.02401e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.040338192347534 (9.56633e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 2.040338191672208 (3.30987e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.040338191513299 (7.78834e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 2.040338191471945 (2.02682e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 2.04033819145981 (5.94763e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.040338191457281 (1.23933e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 2.040338191456635 (3.16905e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.526821, 0.526823, 0.526827, 0.634476, 0.634485, 0.634491 elapsed time for k point: 3.427274703979492 total elapsed time for run: 3.520991086959839 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: 0.0936422348022461 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 = 18.95591404525166 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039427032786252 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237037006809479 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981729723808924 (8.21087% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778785447795828 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649269375948712 (4.7721% change) linmin: converged after 5 iterations. iteration 7: trace = 2.552602210272369 (3.71663% change) linmin: converged after 6 iterations. iteration 8: trace = 2.499996296038746 (2.08233% change) linmin: converged after 6 iterations. iteration 9: trace = 2.481054598918448 (0.76055% change) linmin: converged after 4 iterations. iteration 10: trace = 2.473187787813283 (0.317579% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470956064149462 (0.0902775% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470394789635823 (0.0227175% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470180301330303 (0.00868273% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470110200785803 (0.00283791% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470093187005779 (0.000688789% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470091060133697 (8.6105e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.470090938273465 (4.93343e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 2.470090890429701 (1.93692e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.470090858653761 (1.28643e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470090833242374 (1.02876e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 2.470090811151596 (8.94331e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470090791086704 (8.12314e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470090772368871 (7.57779e-07% change) linmin: converged after 6 iterations. iteration 24: trace = 2.470090754566057 (7.20735e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 2.470090737344601 (6.97199e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470090720396224 (6.86144e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470090703391651 (6.88419e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 2.470090685938998 (7.06559e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470090667530054 (7.45274e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 2.470090647454549 (8.12744e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 2.470090624645444 (9.23412e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 2.470090597376816 (1.10395e-06% change) linmin: converged after 6 iterations. iteration 33: trace = 2.470090562670122 (1.40508e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 2.470090515874282 (1.8945e-06% change) linmin: converged after 10 iterations. iteration 35: trace = 2.470090468836847 (1.90428e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470090449765792 (7.72079e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.470090439712684 (4.06994e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 2.470090432781861 (2.8059e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470090427335673 (2.20485e-07% change) linmin: converged after 6 iterations. iteration 40: trace = 2.470090422737613 (1.86149e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470090418681718 (1.642e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 2.47009041499947 (1.49073e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 2.470090411588039 (1.3811e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470090408380622 (1.2985e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 2.470090405330793 (1.2347e-07% change) linmin: converged after 8 iterations. iteration 46: trace = 2.470090402404921 (1.18452e-07% change) linmin: converged after 6 iterations. iteration 47: trace = 2.470090399576204 (1.14519e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.47009039682693 (1.11303e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470090394139219 (1.0881e-07% change) linmin: converged after 7 iterations. iteration 50: trace = 2.470090391499061 (1.06885e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470090388890862 (1.05591e-07% change) linmin: converged after 3 iterations. iteration 52: trace = 2.47009038630941 (1.04508e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470090383740816 (1.03988e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 2.470090381174544 (1.03894e-07% change) linmin: converged after 4 iterations. iteration 55: trace = 2.470090378599928 (1.04232e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.470090376005929 (1.05016e-07% change) linmin: converged after 9 iterations. iteration 57: trace = 2.47009037338067 (1.06282e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.47009037070961 (1.08136e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 2.470090367981951 (1.10428e-07% change) linmin: converged after 2 iterations. iteration 60: trace = 2.470090365179457 (1.13457e-07% change) linmin: converged after 6 iterations. iteration 61: trace = 2.470090362282661 (1.17275e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470090359268629 (1.22021e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 2.470090356108575 (1.27933e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.470090352766543 (1.353e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 2.47009034919511 (1.44587e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.470090345329973 (1.56478e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 2.470090341079421 (1.72081e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470090336305548 (1.93267e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 2.470090330790617 (2.23268e-07% change) resetting CG direction... large trace change predicted (5.29862e-06%) linmin: converged after 7 iterations. iteration 70: trace = 2.470090199766766 (5.30442e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470090121265523 (3.17807e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470090057909657 (2.56492e-06% change) linmin: converged after 8 iterations. iteration 73: trace = 2.470089989912071 (2.75284e-06% change) linmin: converged after 7 iterations. iteration 74: trace = 2.470089860840792 (5.22537e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470089844379304 (6.66433e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470089841706211 (1.08218e-07% change) linmin: converged after 7 iterations. iteration 77: trace = 2.470089841299177 (1.64785e-08% change) linmin: converged after 4 iterations. iteration 78: trace = 2.470089841247448 (2.09419e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.470089841242592 (1.96615e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 2.470089841242355 (9.58263e-12% change) Finished solving for bands 2 to 6 after 80 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.548551, 0.707219, 0.707226, 0.764464, 0.764493 elapsed time for k point: 7.941910982131958 total elapsed time for run: 8.035640954971313 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: 0.08819198608398438 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 = 18.02225029139231 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363329643375405 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753290318750443 (19.9469% change) linmin: converged after 6 iterations. iteration 4: trace = 2.542380438511191 (7.96537% change) linmin: converged after 6 iterations. iteration 5: trace = 2.46026925238134 (3.28271% change) linmin: converged after 5 iterations. iteration 6: trace = 2.396842268010841 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342637319882825 (2.28738% change) linmin: converged after 5 iterations. iteration 8: trace = 2.313901131797397 (1.23423% change) linmin: converged after 5 iterations. iteration 9: trace = 2.300816965995731 (0.567062% change) linmin: converged after 4 iterations. iteration 10: trace = 2.29633136936748 (0.195147% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294762164932647 (0.0683586% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294139288841711 (0.0271471% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293942737700887 (0.0085679% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293830860074326 (0.00487721% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293762662941052 (0.00297311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.293698272889895 (0.00280722% change) linmin: converged after 16 iterations. iteration 17: trace = 2.293622278874292 (0.00331322% change) linmin: converged after 14 iterations. iteration 18: trace = 2.293532147046723 (0.00392975% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293455078711143 (0.0033603% change) linmin: converged after 5 iterations. iteration 20: trace = 2.293410497425094 (0.00194387% change) linmin: converged after 4 iterations. iteration 21: trace = 2.293388623081782 (0.000953796% change) linmin: converged after 4 iterations. iteration 22: trace = 2.293377803237758 (0.000471785% change) linmin: converged after 5 iterations. iteration 23: trace = 2.293374533603013 (0.000142569% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293373579060438 (4.16218e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293373171288814 (1.77804e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.29337299324327 (7.76348e-06% change) linmin: converged after 4 iterations. iteration 27: trace = 2.293372903705841 (3.90418e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 2.293372880047614 (1.03159e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 2.293372879552061 (2.1608e-08% change) linmin: converged after 16 iterations. iteration 30: trace = 2.293372879534561 (7.63059e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 2.293372879533615 (4.12841e-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, 0.764184, 0.779416 .elapsed time for k point: 2.9826598167419434 total elapsed time for run: 3.0709471702575684 done /tmp/meepWcFBDI/test_symmetry_overlap-0: 15.87s /tmp/meepWcFBDI/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: 0.004847049713134766 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 = 13.34289714972898 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168701 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652276 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223174 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935835 (1.62145% change) linmin: converged after 5 iterations. iteration 7: trace = 4.525096086376159 (1.06913% change) linmin: converged after 6 iterations. iteration 8: trace = 4.490878663187877 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158232 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.46310009650283 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855658 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.4555537336363 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858802 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036774 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411074 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637688 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333848 (0.00101179% change) linmin: converged after 4 iterations. iteration 18: trace = 4.45309770854457 (0.00059486% change) linmin: converged after 8 iterations. iteration 19: trace = 4.453064686036353 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 6 iterations. iteration 20: trace = 4.452989908418505 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.45283169885073 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.45261593114749 (0.00484575% change) linmin: converged after 4 iterations. iteration 23: trace = 4.452445091451266 (0.00383691% change) linmin: converged after 4 iterations. iteration 24: trace = 4.45229618645493 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.45214480793273 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.452028010939482 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702504275 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340676464 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809741 (0.000110488% change) linmin: converged after 4 iterations. iteration 30: trace = 4.451951355108216 (4.64224e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.451950388858831 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.45194993512489 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721655019 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042464 (1.87811e-06% change) linmin: converged after 4 iterations. iteration 35: trace = 4.451949603090717 (7.85089e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 4.451949587124952 (3.58624e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 4.451949578414642 (1.95652e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497717 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787169 (6.08845e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043597 (3.91642e-08% change) linmin: converged after 6 iterations. iteration 41: trace = 4.451949566780521 (5.08334e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 4.451949562367837 (9.9118e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074594 (2.08745e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.45194954084313 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999995 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238342 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159166 (9.16267e-08% change) linmin: converged after 6 iterations. iteration 48: trace = 4.451949516240882 (6.55507e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 4.451949514432187 (4.0627e-08% change) linmin: converged after 17 iterations. iteration 50: trace = 4.451949513681816 (1.68549e-08% change) linmin: converged after 4 iterations. iteration 51: trace = 4.451949513453074 (5.13803e-09% change) linmin: converged after 4 iterations. iteration 52: trace = 4.451949513392958 (1.35032e-09% change) linmin: converged after 4 iterations. iteration 53: trace = 4.451949513373076 (4.46588e-10% change) linmin: converged after 17 iterations. iteration 54: trace = 4.45194951336369 (2.10835e-10% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45194951335844 (1.17926e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 4.451949513355896 (5.71377e-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: 0.21626663208007812 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.475944467087495 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.47004955757041 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947755576 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142584981 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.46669641939018 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349492157 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882292006783 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095562133 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970890655 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380054464 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 4 iterations. iteration 11: trace = 4.462859568827236 (0.0378343% change) linmin: converged after 6 iterations. iteration 12: trace = 4.460811970282382 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283487252 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661370319 (0.0104415% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458964421203831 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960320063 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092724185 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032331006 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161072318 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017341815 (4.80776e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 4.458895960746292 (2.36963e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.458895419244174 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086276594 (7.46749e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672869239 (9.27152e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966779066 (1.58355e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458892812033571 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286063 (2.92168e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613512 (2.32271e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 4.458889874545142 (1.34354e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458889622685417 (5.64849e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.458889526435814 (2.1586e-06% change) linmin: converged after 14 iterations. iteration 32: trace = 4.458889488492772 (8.50953e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 4.458889473720196 (3.31306e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.458889468163914 (1.24611e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 4.458889466116763 (4.59117e-08% change) linmin: converged after 18 iterations. iteration 36: trace = 4.458889465242299 (1.96117e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752257 (1.09902e-08% change) linmin: converged after 20 iterations. iteration 38: trace = 4.458889464463222 (6.48223e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.458889464280393 (4.10032e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 4.458889464100655 (4.031e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 4.458889463833455 (5.99251e-09% change) linmin: converged after 8 iterations. iteration 42: trace = 4.458889463451252 (8.57172e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 4.458889462992357 (1.02917e-08% change) linmin: converged after 16 iterations. iteration 44: trace = 4.458889462497369 (1.11012e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139605 (8.0236e-09% change) linmin: converged after 14 iterations. iteration 46: trace = 4.458889461932959 (4.63448e-09% change) linmin: converged after 19 iterations. iteration 47: trace = 4.458889461821269 (2.50487e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 4.458889461773405 (1.07347e-09% change) linmin: converged after 10 iterations. iteration 49: trace = 4.458889461754998 (4.12807e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 4.458889461749096 (1.32364e-10% change) linmin: converged after 2 iterations. iteration 51: trace = 4.458889461747217 (4.21492e-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: 0.26476097106933594 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134809289 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356468139 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.483597723196442 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838960405 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052225453 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886541182 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042620517 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761944123 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566983442 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172835176 (0.00206155% change) linmin: converged after 4 iterations. iteration 11: trace = 4.481640274020457 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826264 (0.00118906% change) linmin: converged after 4 iterations. iteration 13: trace = 4.481566235482793 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049647 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788892 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617269 (7.96981e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 4.48155467543529 (1.8561e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.481554649662224 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.48155464296751 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848145 (4.72908e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.481554640163123 (1.52854e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.481554639855199 (6.87093e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686872 (3.75601e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.481554639614058 (1.62474e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.481554639589974 (5.37399e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 4.481554639582902 (1.57795e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.481554639580323 (5.7553e-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: 0.14651274681091309 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972898107 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948824034 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322886892 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093374218 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372581491 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483913894 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775349629 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534256408390532 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.534250296428478 (0.000134795% change) linmin: converged after 4 iterations. iteration 10: trace = 4.534247094429865 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850399107 (4.94907e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 4.534242751424725 (4.62916e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.534241209054223 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109209 (2.01565e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 4.53423988320703 (9.08426e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.534239659653631 (4.93034e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534239494917891 (3.63315e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.534239415265846 (1.75668e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.534239379667371 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364462 (2.0517e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 4.534239368024686 (5.16024e-08% change) linmin: converged after 16 iterations. iteration 22: trace = 4.534239367497582 (1.1625e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.534239367336924 (3.54322e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284079 (1.16546e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.53423936726746 (3.66516e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.534239367261496 (1.31535e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259124 (5.23202e-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: 0.14157390594482422 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992360533 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.614041347471969 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.610477696469278 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813616127 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.607863233750842 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207523 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312685 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687515 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209923 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307783 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156626 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851994 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045182 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828308 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.607273491056459 (4.24919e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 4.607273423326231 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.607273396454784 (5.8324e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999427 (2.70341e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.607273373222219 (2.33917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.607273363837929 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409597 (1.61231e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 4.607273352713714 (8.02185e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035133 (3.64333e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.60727335048899 (1.18539e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.607273350318341 (3.70391e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.607273350261749 (1.22832e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.607273350235117 (5.78043e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 4.607273350218001 (3.71482e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 4.607273350209271 (1.895e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.607273350205861 (7.40073e-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: 0.15694093704223633 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286203288 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.678587559274716 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103795 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259195 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777978 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657411795586501 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536881 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992838 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920616 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042738 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959351 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969583 (0.00130354% change) linmin: converged after 4 iterations. iteration 13: trace = 4.654589608102704 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.65458549198888 (8.84313e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.654584391756926 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912188 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099504 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.65458381800321 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952061 (6.67109e-07% change) linmin: converged after 7 iterations. iteration 20: trace = 4.654583768788893 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229823 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130696 (8.80664e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195769 (4.15704e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.654583750968571 (2.63654e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 4.65458374995506 (2.17745e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 4.654583749144861 (1.74065e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504256 (1.37629e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161563 (7.36248e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 4.65458374803796 (2.6555e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.65458374798405 (1.15823e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 4.65458374795266 (6.7437e-10% change) linmin: converged after 15 iterations. iteration 32: trace = 4.654583747932778 (4.27165e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.654583747920536 (2.63004e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 4.654583747914263 (1.34775e-10% change) linmin: converged after 21 iterations. iteration 35: trace = 4.654583747911486 (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: 0.18269968032836914 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594771 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315115 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612646 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655603 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979148 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112125 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920485 (0.00121226% change) linmin: converged after 4 iterations. iteration 8: trace = 4.657812047553707 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.65780489368785 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529454 (3.44832e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.657802747123335 (1.16022e-05% change) linmin: converged after 8 iterations. iteration 12: trace = 4.657802583154835 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.657802512506791 (1.51677e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 4.657802482770941 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850064 (4.92096e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.657802440944288 (4.05895e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.657802424135098 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141315 (2.36029e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226836 (1.05511e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.657802405927233 (4.9371e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388971 (3.30255e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.657802403523626 (1.85784e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.657802403119744 (8.67109e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.657802402939383 (3.87223e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 4.657802402884998 (1.16761e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.657802402867808 (3.69073e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.657802402862917 (1.04992e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.657802402861529 (2.98042e-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: 0.14650893211364746 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728070222 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935697184 (0.0539828% change) linmin: converged after 4 iterations. iteration 3: trace = 4.668592631124191 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099612483 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545140104 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370701 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.66712129730948 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510396 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608687101 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975449 (4.06615e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 4.667096867242021 (1.80783e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.667096564921361 (6.4777e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 4.667096423536479 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918556 (1.74879e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.667096252445048 (1.91711e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.667096174501578 (1.67006e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228571 (9.91473e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109588026 (3.99403e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.66709610366803 (1.26845e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.667096101434479 (4.78574e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309849 (2.4097e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.667096099663404 (1.38511e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 4.667096099284759 (8.11307e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.667096099089921 (4.17471e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.667096099007766 (1.7603e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.667096098964776 (9.2114e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 4.667096098939584 (5.39766e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 4.667096098919747 (4.25049e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.66709609890229 (3.74047e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 4.667096098892174 (2.1674e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.667096098888678 (7.49046e-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: 0.16185784339904785 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093033327 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.684501121648696 (0.058537% change) linmin: converged after 5 iterations. iteration 3: trace = 4.6828699305784 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068317712 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640009318 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106921915 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472565963 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725641 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077223687 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737997834 (2.86061e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.681615858546159 (1.87852e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.681615429378752 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362259 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039711981 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242003 (3.64126e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.681614726230348 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041425 (1.45653e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 4.681614630400935 (5.90405e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 4.681614620951716 (2.01837e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.68161461585686 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123173 (7.97521e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813812 (7.06885e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.681614606613899 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684874 (1.98441e-08% change) linmin: converged after 15 iterations. iteration 25: trace = 4.681614605285619 (8.52816e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 4.681614605099337 (3.97901e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.681614605024992 (1.588e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 4.681614605000412 (5.2504e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.681614604988985 (2.44089e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.681614604983475 (1.177e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 4.681614604980842 (5.62319e-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: 0.16182684898376465 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450234406 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967399162 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685736 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710702212 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397545155 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100698 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958765 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034549033 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630972 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929883 (3.89301e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 4.699965319407078 (3.93944e-05% change) linmin: converged after 8 iterations. iteration 12: trace = 4.699964030426799 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.69996319369975 (1.78028e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.699962560785048 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691382 (1.54915e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 4.699961225600661 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583738 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235751 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644726004 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.69996059288989 (1.10291e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066791 (6.13263e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.699960551853549 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.699960547235501 (9.82571e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971051 (2.69034e-08% change) linmin: converged after 18 iterations. iteration 25: trace = 4.699960545396209 (1.22308e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 4.699960545062305 (7.10439e-09% change) linmin: converged after 14 iterations. iteration 27: trace = 4.699960544894055 (3.57982e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 4.699960544831168 (1.33804e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.699960544805109 (5.54436e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.699960544792858 (2.60673e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 4.699960544786459 (1.36138e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.699960544782293 (8.86485e-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: 0.2671222686767578 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835494226 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797482069 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191076686 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.72032520149965 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.720028727981632 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630336785 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321775348 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657780353 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.719807413345695 (0.000513673% change) linmin: converged after 4 iterations. iteration 10: trace = 4.719790508672371 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814595287 (0.00022658% change) linmin: converged after 5 iterations. iteration 12: trace = 4.719770348463737 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280298855 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 5 iterations. iteration 14: trace = 4.719718876286594 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476231913 (0.0017247% change) linmin: converged after 8 iterations. iteration 16: trace = 4.719538716012286 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199515073 (0.00196031% change) linmin: converged after 4 iterations. iteration 18: trace = 4.71934206716239 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660802 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779898008 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996962956 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.719173491795454 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308598 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458936283 (4.34477e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917311228 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.719165107644066 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213648 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194664 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924749 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750430554 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982874 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738002529 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732534541 (1.15868e-07% change) linmin: converged after 23 iterations. iteration 34: trace = 4.719164729192588 (7.08166e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 4.719164727748984 (3.05903e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.719164727250813 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984851 (5.63579e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 4.719164726836928 (3.13453e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 4.71916472670789 (2.73434e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 4.719164726549329 (3.35992e-09% change) linmin: converged after 9 iterations. iteration 41: trace = 4.719164726297492 (5.33649e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852549 (9.42842e-09% change) linmin: converged after 9 iterations. iteration 43: trace = 4.71916472506643 (1.6658e-08% change) linmin: converged after 20 iterations. iteration 44: trace = 4.719164723722307 (2.84822e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419788 (2.76006e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 4.719164721562517 (1.81657e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 4.719164720988485 (1.21639e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.719164720623207 (7.7403e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038205 (5.11017e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 4.719164720281924 (2.12169e-09% change) linmin: converged after 5 iterations. iteration 51: trace = 4.719164720241524 (8.56077e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 4.719164720225405 (3.41576e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 4.719164720218778 (1.40421e-10% change) linmin: converged after 16 iterations. iteration 54: trace = 4.719164720216042 (5.79677e-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: 0.28563761711120605 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380149505 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472702094 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.661345041542961 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551871612 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.65500876424913 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.654399336085745 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783479 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429355 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231895 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128459 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293408 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342955 (4.27797e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.653957534859842 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162114 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.653957025852139 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560749 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.65395687576996 (1.13432e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.653956841201492 (7.42776e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.653956819085486 (4.75209e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.653956809935071 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517492 (7.34338e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199025 (2.833e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.653956804663059 (1.15163e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367989 (6.34019e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.653956804189209 (3.84147e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.653956804095582 (2.01176e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.653956804061932 (7.2305e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.653956804052062 (2.12066e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 4.653956804049425 (5.66615e-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: 0.1588120460510254 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.58892097857844 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860620401 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780554 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923727015 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753213 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276827 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406314 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.56575722007807 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954831 (0.000297741% change) linmin: converged after 3 iterations. iteration 10: trace = 4.565739612896312 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055293 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.5657377468109 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483536 (3.27061e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.565737552537152 (9.84428e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 4.565737539290504 (2.90132e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.56573753564671 (7.98074e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.565737534603488 (2.28489e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315084 (6.3167e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 4.565737534206809 (2.37147e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 4.565737534143952 (1.37672e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 4.565737534100037 (9.61821e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 4.565737534070958 (6.36915e-10% change) linmin: converged after 8 iterations. iteration 23: trace = 4.565737534052845 (3.96707e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.565737534041952 (2.38573e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 4.565737534035832 (1.34051e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 4.565737534032815 (6.60823e-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: 0.13754510879516602 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 4.508620212892161 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737288 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798964 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235549 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031115 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640714 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672346 (0.000661286% change) linmin: converged after 4 iterations. iteration 8: trace = 4.495303649149008 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167801 (6.86268e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 4.495299803161004 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.49529962987157 (3.8549e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.495299593694363 (8.04779e-07% change) linmin: converged after 13 iterations. iteration 13: trace = 4.495299585129789 (1.90523e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 4.495299582963908 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.495299582144054 (1.8238e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 4.495299581549307 (1.32304e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 4.495299580823803 (1.61392e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.495299579922009 (2.00608e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.495299579325454 (1.32707e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 4.495299579065509 (5.78257e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.495299578960958 (2.32581e-09% change) linmin: converged after 5 iterations. iteration 22: trace = 4.49529957891385 (1.04792e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 4.495299578893942 (4.42874e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 4.495299578886669 (1.61778e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.495299578884352 (5.15485e-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: 0.13152503967285156 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004791012 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880191 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093527 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439742 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137283 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332473 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597416 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667413 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980009 (2.95275e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.462570139814244 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886542 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202187 (6.65185e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.462569970590502 (2.37793e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 4.462569966989764 (8.06875e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 4.462569964422028 (5.75394e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021082 (7.62105e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 3 iterations. iteration 19: trace = 4.462569953904029 (1.59483e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 4.462569943683246 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609533 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927923 (1.49726e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 4.462569924053915 (8.68112e-08% change) linmin: converged after 23 iterations. iteration 24: trace = 4.462569921863494 (4.90843e-08% change) linmin: converged after 6 iterations. iteration 25: trace = 4.462569921105953 (1.69755e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.462569920846205 (5.82059e-09% change) linmin: converged after 8 iterations. iteration 27: trace = 4.462569920755999 (2.02139e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.46256992070804 (1.07469e-09% change) linmin: converged after 21 iterations. iteration 29: trace = 4.46256992067948 (6.39976e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.462569920665287 (3.18047e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.46256992066141 (8.68759e-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: 0.16723370552062988 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603968 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062449 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409671 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144595 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383892 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.45914490873918 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123704 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085919 (0.00257152% change) linmin: converged after 5 iterations. iteration 9: trace = 4.458596309902839 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439004 (0.000191865% change) linmin: converged after 4 iterations. iteration 11: trace = 4.458585207925344 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.458584490013851 (1.61018e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 4.458584277335127 (4.7701e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.458584200806355 (1.71644e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.458584152120803 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.458584133462652 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789691 (1.94523e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.45858411809397 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089606 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760471 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135778 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 4 iterations. iteration 22: trace = 4.458584003454814 (1.49556e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248691 (5.0735e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 24: trace = 4.458459761991186 (0.00278153% change) linmin: converged after 6 iterations. iteration 25: trace = 4.458458096990327 (3.73448e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.458456435185433 (3.72731e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 4.458454780610261 (3.71109e-05% change) linmin: converged after 7 iterations. iteration 28: trace = 4.458453133548324 (3.69424e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.458451492127663 (3.68159e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458449853335055 (3.6757e-05% change) linmin: converged after 6 iterations. iteration 31: trace = 4.458448213620963 (3.67777e-05% change) linmin: converged after 6 iterations. iteration 32: trace = 4.45844656924559 (3.68822e-05% change) linmin: converged after 8 iterations. iteration 33: trace = 4.458444916470309 (3.70707e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 4.458443251660254 (3.73406e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 4.458441571337938 (3.76886e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872211208 (3.81103e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.458438151189158 (3.86014e-05% change) linmin: converged after 6 iterations. iteration 38: trace = 4.458436405394041 (3.91571e-05% change) linmin: converged after 13 iterations. iteration 39: trace = 4.458434632173701 (3.97723e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829116996 (4.04415e-05% change) linmin: converged after 7 iterations. iteration 41: trace = 4.458430994073585 (4.11589e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.458429125178512 (4.19182e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 4.458427220881289 (4.27123e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 4.45842527997888 (4.35334e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301651105 (4.43728e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 4.458421285496811 (4.52213e-05% change) linmin: converged after 10 iterations. iteration 47: trace = 4.458419231568359 (4.60685e-05% change) linmin: converged after 9 iterations. iteration 48: trace = 4.458417140401739 (4.69038e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 4.458415013087595 (4.77146e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 4.458412851088964 (4.84926e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 4.458410656530546 (4.92229e-05% change) linmin: converged after 9 iterations. iteration 52: trace = 4.458408431986343 (4.98955e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 4.458406180492148 (5.05e-05% change) linmin: converged after 4 iterations. iteration 54: trace = 4.458403905491187 (5.10272e-05% change) linmin: converged after 6 iterations. iteration 55: trace = 4.458401610762767 (5.14697e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 4.458399300336327 (5.18219e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 4.458396978395236 (5.20802e-05% change) linmin: converged after 7 iterations. iteration 58: trace = 4.458394649175234 (5.22435e-05% change) linmin: converged after 7 iterations. iteration 59: trace = 4.458392316863271 (5.23128e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 4.458389985502375 (5.22915e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.458387658907389 (5.21847e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.458385340595498 (5.19989e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033733856 (5.17421e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 4.458380741105351 (5.14229e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 4.458378465091911 (5.10502e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 4.45837620767387 (5.06332e-05% change) linmin: converged after 11 iterations. iteration 67: trace = 4.458373970505848 (5.0179e-05% change) linmin: converged after 6 iterations. iteration 68: trace = 4.458371754689133 (4.97001e-05% change) linmin: converged after 9 iterations. iteration 69: trace = 4.458369561180763 (4.91998e-05% change) resetting CG direction... large trace change predicted (0.0705971%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218414244386 (0.0707043% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076277307702 (0.0256392% change) linmin: converged after 3 iterations. iteration 72: trace = 4.45323340346795 (0.0189254% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750386502657 (0.010847% change) linmin: converged after 3 iterations. iteration 74: trace = 4.452486227045307 (0.00593268% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238136036019 (0.00235527% change) linmin: converged after 3 iterations. iteration 76: trace = 4.452332148002839 (0.00110531% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312687241872 (0.000437092% change) linmin: converged after 3 iterations. iteration 78: trace = 4.45230071469207 (0.000268907% change) linmin: converged after 3 iterations. iteration 79: trace = 4.45228839831498 (0.00027663% change) linmin: converged after 3 iterations. iteration 80: trace = 4.452272808293808 (0.000350158% change) linmin: converged after 5 iterations. iteration 81: trace = 4.452249235108085 (0.000529465% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204262583577 (0.00101011% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119847478359 (0.00189605% change) linmin: converged after 4 iterations. iteration 84: trace = 4.452030543714425 (0.00200589% change) linmin: converged after 3 iterations. iteration 85: trace = 4.451975522905274 (0.00123587% change) linmin: converged after 4 iterations. iteration 86: trace = 4.45195633662106 (0.000430962% change) linmin: converged after 4 iterations. iteration 87: trace = 4.451951182930156 (0.000115762% change) linmin: converged after 4 iterations. iteration 88: trace = 4.451949926949109 (2.82119e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717717 (6.58658e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 4.451949555040042 (1.76726e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224854 (6.24787e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 4.451949519989743 (1.62516e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 4.451949518321606 (3.74698e-08% change) linmin: converged after 4 iterations. iteration 94: trace = 4.45194951753159 (1.77454e-08% change) linmin: converged after 2 iterations. iteration 95: trace = 4.451949517019767 (1.14966e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 4.45194951656523 (1.02099e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.45194951631145 (5.70043e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 4.451949516185978 (2.81834e-09% change) linmin: converged after 2 iterations. iteration 99: trace = 4.45194951611154 (1.67204e-09% change) large trace change predicted (3.42073e-09%) linmin: converged after 2 iterations. iteration 100: trace = 4.45194951595926 (3.42052e-09% change) linmin: converged after 18 iterations. iteration 101: trace = 4.451949515672645 (6.43797e-09% change) linmin: converged after 2 iterations. iteration 102: trace = 4.451949515253661 (9.41125e-09% change) linmin: converged after 8 iterations. iteration 103: trace = 4.45194951477645 (1.07192e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168453 (1.36569e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.45194951364144 (1.18378e-08% change) linmin: converged after 7 iterations. iteration 106: trace = 4.451949513445268 (4.40643e-09% change) linmin: converged after 2 iterations. iteration 107: trace = 4.45194951337478 (1.58332e-09% change) linmin: converged after 3 iterations. iteration 108: trace = 4.451949513356699 (4.06129e-10% change) linmin: converged after 3 iterations. iteration 109: trace = 4.451949513352748 (8.8759e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.4178166389465332 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117485 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220677 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499384 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448813 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212513 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446038 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502121 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: 0.8259787164701545 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840893 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529592 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839892 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117485) to band 2 (0.49243428236220677), 48.78609719263008% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701545), 3.3434159054756925% Gap from band 7 (0.9834563303529592) to band 8 (0.9984200611839892), 1.510056923320589% total elapsed time for run: 3.150521755218506 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: 0.0047702789306640625 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 = 9.345806662498562 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603812 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590623 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637949 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776491 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741103 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162175 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173164 (0.00507159% change) linmin: converged after 6 iterations. iteration 10: trace = 2.86268608242282 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034313006 (0.00139898% change) linmin: converged after 4 iterations. iteration 12: trace = 2.862568116860761 (0.00272191% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862522529175171 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023068808 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.862497024436705 (0.000349297% change) linmin: converged after 6 iterations. iteration 16: trace = 2.862491945373129 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865837393 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.862490726048119 (4.88348e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 2.862490708251427 (6.21721e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703923782 (1.51185e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.86249070044441 (1.21551e-07% change) linmin: converged after 7 iterations. iteration 22: trace = 2.862490696943896 (1.22289e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617772 (8.12622e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 2.862490692196653 (8.45809e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490689635994 (8.94556e-08% change) linmin: converged after 5 iterations. iteration 26: trace = 2.862490688812155 (2.87805e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 2.862490688657751 (5.39401e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688633998 (8.29817e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625451 (2.986e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 2.862490688620304 (1.79793e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 2.862490688618994 (4.5751e-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: 0.12092781066894531 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533757155 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885419952 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720091162 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000268805 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496139218 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889968514 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090224 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260294 (0.000764311% change) linmin: converged after 5 iterations. iteration 9: trace = 2.835302898412857 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980061 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354522 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476833 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836309 (1.284e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 2.835301331052829 (6.29027e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 2.835301329637788 (4.99079e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 2.835301328974368 (2.33986e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.835301328638414 (1.1849e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502633 (4.78895e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 2.835301328480657 (7.75077e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 2.835301328478711 (6.86346e-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: 0.10669708251953125 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583437847 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378334363 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.795928878200867 (0.0255875% change) linmin: converged after 9 iterations. iteration 4: trace = 2.795770481181814 (0.00566543% change) linmin: converged after 7 iterations. iteration 5: trace = 2.795670517948432 (0.00357558% change) linmin: converged after 7 iterations. iteration 6: trace = 2.795637812105497 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.79563140506062 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521861 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.79563088040858 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968441 (2.66135e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760079 (4.32232e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631216 (4.60943e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.795630871612969 (6.52719e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.795630871602824 (3.62864e-10% change) linmin: converged after 9 iterations. iteration 15: trace = 2.79563087159838 (1.58962e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 2.795630871597677 (2.51461e-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: 0.08561921119689941 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.774998560215875 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894228555 (0.0992805% change) linmin: converged after 4 iterations. iteration 3: trace = 2.771711795791256 (0.0192317% change) linmin: converged after 4 iterations. iteration 4: trace = 2.771603071908849 (0.0039227% change) linmin: converged after 4 iterations. iteration 5: trace = 2.771573339861107 (0.00107274% change) linmin: converged after 5 iterations. iteration 6: trace = 2.771567875220632 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.77156584886494 (7.31123e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.771565436133749 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911646 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.77156539063712 (1.18147e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.771565390406326 (8.32721e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.771565390385135 (7.64588e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 2.771565390382115 (1.08973e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381674 (1.59109e-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: 0.07513022422790527 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.769862897694164 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766236676430951 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799333436 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212317 (0.0108463% change) linmin: converged after 4 iterations. iteration 5: trace = 2.764623520243698 (0.00243773% change) linmin: converged after 6 iterations. iteration 6: trace = 2.764618233702723 (0.000191221% change) linmin: converged after 5 iterations. iteration 7: trace = 2.764617446459623 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488831 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.76461709773662 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306767 (1.24063e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.76461709412272 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109747 (4.69226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.764617094107786 (7.09517e-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: 0.07014846801757812 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793778 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165135 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.76640947011891 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765655309544315 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981648 (0.004805% change) linmin: converged after 4 iterations. iteration 6: trace = 2.76551511833275 (0.000264133% change) linmin: converged after 4 iterations. iteration 7: trace = 2.765514720941254 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058562 (1.55062e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765514659876098 (6.57471e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313929 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640208 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454893 (6.70093e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 2.765514654390362 (2.3334e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.765514654376141 (5.14229e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374657 (5.36822e-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: 0.08215212821960449 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432192954 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765728992589557 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833955 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765341 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101843 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162034 (1.7462e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765656108679674 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612794 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543776 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432828 (4.01162e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.76565609737032 (2.26016e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.765656097345334 (9.03415e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 2.765656097342635 (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: 0.07564020156860352 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.768280024969664 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76686117331323 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766538782497224 (0.0116525% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766463876994905 (0.00270759% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766444675349492 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76644115588941 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279495 (2.41324e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.76644040511959 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785981 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337013 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560166 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766440393133264 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061451 (2.59589e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.766440393054016 (2.68739e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.76644039305337 (2.33728e-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: 0.08163905143737793 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893333 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.769310080424475 (0.0452723% change) linmin: converged after 4 iterations. iteration 3: trace = 2.769019050829589 (0.0105097% change) linmin: converged after 15 iterations. iteration 4: trace = 2.768934648753343 (0.00304813% change) linmin: converged after 4 iterations. iteration 5: trace = 2.768909972394442 (0.00089119% change) linmin: converged after 5 iterations. iteration 6: trace = 2.768906563092364 (0.000123128% change) linmin: converged after 6 iterations. iteration 7: trace = 2.76890610615976 (1.65023e-05% change) linmin: converged after 13 iterations. iteration 8: trace = 2.768906042893656 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.768906024550869 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868236 (6.02499e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 2.768905997652206 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400182 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267478 (4.79262e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 2.768905996251341 (5.82821e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.768905996249792 (5.59421e-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: 0.08113431930541992 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451390234 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098715517 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612551309 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.774560995069197 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593256664 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225310166 (0.000121388% change) linmin: converged after 4 iterations. iteration 7: trace = 2.774530700766756 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.774530359497526 (1.23001e-05% change) linmin: converged after 15 iterations. iteration 9: trace = 2.774529863123004 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681466 (1.01798e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 2.774529533963543 (1.68381e-06% change) linmin: converged after 22 iterations. iteration 12: trace = 2.774529531015572 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846432 (6.09616e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829864 (5.97133e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 2.774529530826872 (1.07864e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.774529530826203 (2.40889e-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: 0.08704423904418945 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010659524 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864191251 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890623051289 (0.00733363% change) linmin: converged after 4 iterations. iteration 4: trace = 2.784815529372899 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783019060226 (0.00116742% change) linmin: converged after 5 iterations. iteration 6: trace = 2.78477503323067 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387136727 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863784896 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 5 iterations. iteration 9: trace = 2.784576806730665 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582401 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.78440638794421 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398151733 (7.1462e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 2.784404189729832 (7.48533e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 2.784404151061399 (1.38875e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 2.784404143391657 (2.75454e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 2.784404142114122 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807715 (1.10044e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512641 (1.05974e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 2 iterations. iteration 19: trace = 2.784404140423744 (3.9107e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 2.784404138303267 (7.61555e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.784404135672837 (9.44701e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 2.784404132526773 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138654 (4.98534e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765976 (1.33845e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 2.784404130704085 (2.22277e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 2.784404130699132 (1.77897e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 2.784404130698573 (2.0064e-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: 0.14289617538452148 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.772753997213716 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262731125 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048710962 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.766294359316747 (0.00360365% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766278312431675 (0.000580088% change) linmin: converged after 6 iterations. iteration 6: trace = 2.766276055716645 (8.15795e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.766275726375521 (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 = 2.766275694526932 (9.03386e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.766275694283748 (8.79101e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243468 (1.45612e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.766275694206315 (1.34305e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188486 (6.44523e-10% change) linmin: converged after 5 iterations. iteration 14: trace = 2.766275694185671 (1.01748e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.766275694185349 (1.16389e-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: 0.08724069595336914 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.771492865804655 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096220615 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76587073101677 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765784357906568 (0.00312287% change) linmin: converged after 7 iterations. iteration 5: trace = 2.765768964129088 (0.000556581% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765766913567464 (7.41408e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.765766616476077 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509606 (1.26426e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765766575906309 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033985 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972651 (2.21763e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765766574968941 (1.34137e-10% change) linmin: converged after 7 iterations. iteration 13: trace = 2.765766574968634 (1.11112e-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: 0.08701491355895996 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.791470836862401 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099726 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.786926033089955 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715402 (0.00250872% change) linmin: converged after 6 iterations. iteration 5: trace = 2.786833391429707 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476856 (0.000229291% change) linmin: converged after 5 iterations. iteration 7: trace = 2.786825618414135 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368146 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118286 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092701 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011261 (2.92231e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.786825446005853 (1.9406e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.786825446005424 (1.53776e-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: 0.08022546768188477 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.83493324550543 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065371 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628204 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.82941938430704 (0.00715419% change) linmin: converged after 4 iterations. iteration 5: trace = 2.829342538493465 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.829305726218517 (0.0013011% change) linmin: converged after 12 iterations. iteration 7: trace = 2.829276325559091 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342473 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813151 (2.19325e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.829270284334411 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435289 (1.37814e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 2.829270280036016 (1.41122e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 2.829270279947554 (3.12668e-09% change) linmin: converged after 6 iterations. iteration 14: trace = 2.829270279913453 (1.20528e-09% change) linmin: converged after 7 iterations. iteration 15: trace = 2.829270279899195 (5.03944e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.829270279889812 (3.31646e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885796 (1.41925e-10% change) linmin: converged after 18 iterations. iteration 18: trace = 2.829270279885345 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.10253524780273438 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.88614168583597 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321699 (0.411006% change) linmin: converged after 14 iterations. iteration 3: trace = 2.867461048283286 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.863972339341585 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579769 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462711 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164027 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 4 iterations. iteration 8: trace = 2.862770998312615 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269465 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328813 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.86250351986128 (0.00130139% change) linmin: converged after 6 iterations. iteration 12: trace = 2.862492614384064 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676322 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354848 (1.8977e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 2.86249081515367 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134777 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516474 (9.299e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 2.862490726725279 (7.26332e-07% change) linmin: converged after 8 iterations. iteration 20: trace = 2.862490701040956 (8.97272e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 2.862490690405596 (3.71542e-07% change) linmin: converged after 7 iterations. iteration 22: trace = 2.862490688920341 (5.18868e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 2.862490688724617 (6.83752e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.862490688677457 (1.64753e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 2.862490688650832 (9.30116e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.862490688640366 (3.65636e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 2.862490688636738 (1.2675e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.862490688630879 (2.04677e-10% change) linmin: converged after 13 iterations. iteration 29: trace = 2.862490688622827 (2.81301e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 2.862490688619481 (1.16868e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 2.862490688618617 (3.02059e-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: 0.12632226943969727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739995 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378441 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046686 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.43908172284486047 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980703 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.49336847788268756 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043719 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801373002 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446715008 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213794 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134788 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393093 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594111 at Vector3<0.0, 0.4, 0.0> to 0.898223942482345 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739995) to band 2 (0.2801552391378441), 0.022729612382847715% Gap from band 2 (0.3985126081046686) to band 3 (0.43908172284486047), 9.687055712089446% Gap from band 3 (0.49288810189980703) to band 4 (0.49336847788268756), 0.0974139980868817% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043719), 0.028420606345590967% Gap from band 5 (0.6824860801373002) to band 6 (0.6825317446715008), 0.006690686871730083% Gap from band 7 (0.7841042622393093) to band 8 (0.7980077872594111), 1.7575904341929585% total elapsed time for run: 1.4981989860534668 done /tmp/meepWcFBDI/test_tri_holes-0: 5.40s /tmp/meepWcFBDI/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: 0.0026903152465820312 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 = 13.46696798403984 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549283 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222894 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441991 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792539 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692736 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908762 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57898729516393 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448072 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.57800394246301 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 9 iterations. iteration 12: trace = 4.577907037545215 (0.000494028% change) linmin: converged after 8 iterations. iteration 13: trace = 4.577897255801732 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336268 (4.739e-05% change) linmin: converged after 8 iterations. iteration 15: trace = 4.577894696365669 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935435 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221524 (1.68503e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 4.577894627568729 (3.61038e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.57789462693918 (1.37519e-08% change) linmin: converged after 18 iterations. iteration 20: trace = 4.577894626693615 (5.36415e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612567 (1.77042e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 4.577894626584479 (6.13552e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574832 (2.10739e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.09549474716186523 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720699 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580821 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889154 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259337 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078166 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887483 (0.000982783% change) linmin: converged after 7 iterations. iteration 7: trace = 4.546668812199727 (0.0001536% change) linmin: converged after 7 iterations. iteration 8: trace = 4.546667474444717 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982201 (8.36794e-06% change) linmin: converged after 7 iterations. iteration 10: trace = 4.546667026314636 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167325 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947757 (9.28057e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173661 (3.90197e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.546667003528524 (1.41892e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.546667003425867 (2.25786e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 4.546667003411081 (3.25214e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.546667003406387 (1.03241e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.10795354843139648 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501468168 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577210606 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622002 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935342 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102503 (0.00439222% change) linmin: converged after 5 iterations. iteration 6: trace = 4.456776714934253 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362194 (9.95243e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.456771848143084 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.456771805503853 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.45677179920128 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345363 (4.16426e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664024 (1.52877e-08% change) linmin: converged after 11 iterations. iteration 13: trace = 4.456771796571513 (2.07574e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.45677179656453 (1.567e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.0808115005493164 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410677 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668844 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944971 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 18 iterations. iteration 5: trace = 4.364572744594438 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346532 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740356 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126186 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500089 (1.05992e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.364565233724123 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381509 (7.8499e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.364565233306725 (1.71345e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299629 (1.62574e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.0778965950012207 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604918 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984221 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865025 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804955 (0.00300988% change) linmin: converged after 8 iterations. iteration 5: trace = 4.304072509722037 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.304069984297113 (3.09852e-06% change) linmin: converged after 6 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945508 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779026 (2.71018e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479557 (6.95781e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440698 (9.02836e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.07044219970703125 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238573 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328345 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492495 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283478596024278 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458745 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817818 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770441 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633836 (3.18912e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.283477065618206 (3.64874e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.07039809226989746 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825646 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994837 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548921 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181727 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738404 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967131 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.26447463125734 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203497 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.06566524505615234 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565436 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.22865588220403 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100099 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.22859715634384 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507818 (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 = 4.228595653669721 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.22859565236188 (3.09285e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271402 (2.13967e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.228595652264815 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264469 (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: 0.06525254249572754 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849337 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159212 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731933 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660906 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831921 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279781 (1.31569e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.196577821233549 (1.10165e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.196577821229713 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.05514883995056152 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862598 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.17565818867784 (0.00176593% change) linmin: converged after 5 iterations. iteration 4: trace = 4.175652343488817 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.1756518236398 (1.24495e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.175651765087072 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12887e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 4.175651761333514 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.05544781684875488 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974871 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847986 (0.0167552% change) linmin: converged after 4 iterations. iteration 3: trace = 4.168418925223789 (0.00180428% change) linmin: converged after 6 iterations. iteration 4: trace = 4.168412151727343 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528163 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634321 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651689 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612858 (9.31536e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.050098419189453125 Fixing e-field (band 1) phase by -1 + 4.11972e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11972e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11972e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11971e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11971e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11972e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepWcFBDI/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepWcFBDI/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 = 4.20121840786123 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.19789056484254 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510746 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378013 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525586 (8.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.197854052380289 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415343 (4.68084e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.197854050317018 (2.34227e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309862 (1.70448e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 4.197854050309301 (1.33718e-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: 0.060393333435058594 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338978 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299241 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838013 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283267824693611 (0.000317844% change) linmin: converged after 8 iterations. iteration 6: trace = 4.283266579370459 (2.90741e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.283266497834248 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102655 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28326648909319 (2.35676e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283266488991162 (2.2144e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.06537532806396484 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060167 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426061 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814339 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016641 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711946 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698955 (2.90272e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.41010227730954 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815388 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.41010227456198 (5.74606e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546351 (3.54397e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545242 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.07021188735961914 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210157 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258574 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323367 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553314 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244497 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738528 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347482 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.534517685393304 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423111 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208911 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91744e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.534517622906269 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781566 (2.75008e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 4.534517622760762 (4.58788e-10% change) linmin: converged after 6 iterations. iteration 17: trace = 4.534517622757207 (7.8407e-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: 0.09043645858764648 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274226 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330621 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379701 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189923 (0.00557828% change) linmin: converged after 4 iterations. iteration 6: trace = 4.577915173102073 (0.000900408% change) linmin: converged after 5 iterations. iteration 7: trace = 4.577900193795436 (0.000327209% change) linmin: converged after 4 iterations. iteration 8: trace = 4.577895724955972 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564438 (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 = 4.577894631981876 (3.39511e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684428 (1.91275e-08% change) linmin: converged after 9 iterations. iteration 14: trace = 4.577894626586343 (2.14258e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.577894626573655 (2.77169e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.55905e-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: 0.06369805335998535 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: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797752 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585154 at Vector3<0.0, 0.0, 0.0> to 0.79071959744437 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327578 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537574 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443272 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903449 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739198 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664854 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156912 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.44533108084715833), 47.39883483854658% Gap from band 3 (0.5605607947797752) to band 4 (0.5932960873585154), 5.674064623695132% Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443272), 0.017162047272568082% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% total elapsed time for run: 1.169363021850586 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), (-3.21911e-16, -1.85856e-16, 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: 0.0027065277099609375 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 = 17.3616090416852 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233153 (78.6318% change) linmin: converged after 6 iterations. iteration 3: trace = 6.68998879728395 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.44387287323359 (3.74781% change) linmin: converged after 9 iterations. iteration 5: trace = 6.353949184309326 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004704981 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953053013 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911362783 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952679843 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566121 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085007062 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845126685 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896343 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733837886 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657415 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189161 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212407 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898538 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.20591020579326 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735029 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041655 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474117 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318165 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163244 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.20535689994546 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725807 (7.55673e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 6.205348781520908 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519163 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714793 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594263 (2.86547e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 6.2053402857576 (1.7305e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 6.205339401862738 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538789782 (1.39086e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.205338005701565 (8.5908e-06% change) linmin: converged after 7 iterations. iteration 35: trace = 6.20533779280489 (3.43086e-06% change) linmin: converged after 18 iterations. iteration 36: trace = 6.205337727927337 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663904 (4.39355e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682076556 (2.99538e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235735 (1.90817e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 6.205337663603622 (1.06878e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 6.205337659445274 (6.70124e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270946 (5.11548e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 6.205337653590651 (4.31934e-08% change) linmin: converged after 3 iterations. iteration 44: trace = 6.205337651674695 (3.08759e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.205337650112211 (2.51797e-08% change) linmin: converged after 5 iterations. iteration 46: trace = 6.205337648922296 (1.91757e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 6.205337648157403 (1.23264e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.205337647646638 (8.23106e-09% change) linmin: converged after 6 iterations. iteration 49: trace = 6.205337647357121 (4.66561e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220242 (2.20583e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 6.205337647170944 (7.94436e-10% change) linmin: converged after 4 iterations. iteration 52: trace = 6.205337647152463 (2.97828e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 6.205337647143466 (1.44992e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 6.205337647136536 (1.11671e-10% change) linmin: converged after 2 iterations. iteration 55: trace = 6.20533764713019 (1.02282e-10% change) linmin: converged after 5 iterations. iteration 56: trace = 6.2053376471259 (6.91324e-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: 0.21721649169921875 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024405505 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659800995 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131795422 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.074376705630068 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470541933 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874004 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858542 (0.00713657% change) linmin: converged after 5 iterations. iteration 8: trace = 6.07059282091369 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682322 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951301 (0.000154811% change) linmin: converged after 3 iterations. iteration 12: trace = 6.070462362656818 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493459 (2.64257e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.070460318551034 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.07046019342017 (2.06131e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 6.070460137715084 (9.17642e-07% change) linmin: converged after 6 iterations. iteration 17: trace = 6.070460108900742 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276797 (2.2443e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.070460086895681 (1.38064e-07% change) linmin: converged after 12 iterations. iteration 20: trace = 6.070460079863566 (1.15842e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.070460072809241 (4.2711e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 6.070460071630642 (1.94153e-08% change) linmin: converged after 19 iterations. iteration 24: trace = 6.070460071141087 (8.06453e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 6.070460070886775 (4.18934e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.070460070770773 (1.91093e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 6.070460070719213 (8.49353e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 6.070460070698473 (3.41667e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 6.070460070686251 (2.01325e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677972 (1.36392e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 6.070460070673311 (7.67697e-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: 0.16359710693359375 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450101386 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.86417916498884 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248090157 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.857343394585015 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107413 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447632 (0.00406024% change) linmin: converged after 5 iterations. iteration 7: trace = 5.856287811142662 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.856258046979474 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313693 (0.000174901% change) linmin: converged after 5 iterations. iteration 10: trace = 5.856242932855486 (8.3184e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.856240727525829 (3.76578e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.856239109988337 (2.76208e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.856238145767124 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910509 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124199 (1.53317e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.856237751868009 (4.3127e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.856237743987799 (1.34561e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.856237740787505 (5.46476e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.856237739089937 (2.89874e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.856237737682894 (2.40264e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 5.856237736546378 (1.94069e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.856237735790086 (1.29143e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.856237735217753 (9.77305e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.856237734948416 (4.59914e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.856237734795148 (2.61717e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 5.856237734734314 (1.03879e-09% change) linmin: converged after 9 iterations. iteration 27: trace = 5.856237734714306 (3.41668e-10% change) linmin: converged after 16 iterations. iteration 28: trace = 5.856237734707858 (1.10093e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706172 (2.88009e-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: 0.1543886661529541 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296913295 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679082 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103532 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559958 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031152 (0.00345165% change) linmin: converged after 3 iterations. iteration 6: trace = 5.679338397146975 (0.000753833% change) linmin: converged after 4 iterations. iteration 7: trace = 5.679327009082185 (0.000200518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.679321501429038 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.67931869579602 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.6793170688727 (2.86465e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.679316526996145 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.679316324977452 (3.5571e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.679316252366142 (1.27852e-06% change) linmin: converged after 9 iterations. iteration 14: trace = 5.67931623609782 (2.86449e-07% change) linmin: converged after 14 iterations. iteration 15: trace = 5.67931623167283 (7.79141e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.679316229977106 (2.98579e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.679316229108183 (1.52998e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.67931622834166 (1.34967e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.67931622758592 (1.33069e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 5.679316226988059 (1.0527e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 5.679316226705502 (4.9752e-09% change) linmin: converged after 13 iterations. iteration 22: trace = 5.679316226637825 (1.19165e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.679316226609481 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600843 (1.52103e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598068 (4.88557e-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: 0.13337492942810059 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213527218 (0.241977% change) linmin: converged after 3 iterations. iteration 2: trace = 5.568600925709761 (0.0642735% change) linmin: converged after 3 iterations. iteration 3: trace = 5.56765773685611 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170136783 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.567377620491227 (0.00119534% change) linmin: converged after 4 iterations. iteration 6: trace = 5.567363512847741 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913535 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549635 (2.93203e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.567357563479923 (1.46402e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.567357125846631 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067832 (2.42088e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.56735695750589 (6.02834e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.567356948843504 (1.55592e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567356946798327 (3.67351e-08% change) linmin: converged after 5 iterations. iteration 15: trace = 5.567356946093141 (1.26664e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.56735694563633 (8.20516e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.56735694530421 (5.96549e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.567356944950221 (6.35829e-09% change) linmin: converged after 14 iterations. iteration 19: trace = 5.567356944690515 (4.6648e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.567356944584956 (1.89604e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 5.567356944550362 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542206 (1.46499e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567356944539215 (5.37148e-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: 0.12223601341247559 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.532738106741719 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108847 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.52944300971537 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820902 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152254 (0.000643547% change) linmin: converged after 4 iterations. iteration 6: trace = 5.529274170469095 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624198 (3.49747e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.529271606108979 (1.14032e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.529271436020513 (3.07615e-06% change) linmin: converged after 28 iterations. iteration 10: trace = 5.529271373878388 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740974 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549564 (9.38896e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 5.529271314495561 (1.90622e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.529271314233553 (4.73857e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.52927131408159 (2.74833e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.529271313980222 (1.83329e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.529271313876956 (1.86762e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.529271313777751 (1.79418e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.529271313733432 (8.01538e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.529271313721346 (2.18572e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.529271313719444 (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: 0.11794757843017578 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517439978 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185463659 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111189 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711816984 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.53234281599603 (0.00522181% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53223657988552 (0.00192029% change) linmin: converged after 4 iterations. iteration 7: trace = 5.532184612246425 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.53216528940959 (0.000349281% change) linmin: converged after 5 iterations. iteration 9: trace = 5.532156997902886 (0.000149878% change) linmin: converged after 4 iterations. iteration 10: trace = 5.532154378963379 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741141 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436563 (3.25921e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.532153624609116 (8.82612e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.532153611036559 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469199 (6.44841e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.532153606672818 (1.43955e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.532153606425394 (4.47246e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.532153606309885 (2.08796e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.53215360617186 (1.19979e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115742 (1.01441e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.532153606087499 (5.10512e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.532153606073368 (2.55449e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.532153606068912 (8.05471e-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: 0.12671899795532227 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467715 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.539701350589974 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333653 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928378 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921418 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.534839899497652 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565169 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156111 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866188 (0.000173854% change) linmin: converged after 32 iterations. iteration 10: trace = 5.534696883149079 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656586 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069421 (3.82292e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.534696023142022 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432275 (3.56113e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.534695997023232 (1.15798e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.534695995144556 (3.39436e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.534695994510912 (1.14486e-08% change) linmin: converged after 6 iterations. iteration 18: trace = 5.534695994207875 (5.47522e-09% change) linmin: converged after 9 iterations. iteration 19: trace = 5.534695994030407 (3.20646e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.53469599387127 (2.87527e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.534695993784576 (1.56638e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.534695993753227 (5.66395e-10% change) linmin: converged after 5 iterations. iteration 23: trace = 5.534695993742774 (1.88879e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739177 (6.49762e-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: 0.1271822452545166 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339883116 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.53291289584909 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.52997667373205 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466602 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141162 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433183 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010779 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268948 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125402 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.52714135372944 (5.83375e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.527140472049883 (1.59518e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.52714014910452 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332195 (1.55184e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.527140039497726 (4.31226e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.527140030767503 (1.57952e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.527140027391181 (6.10862e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708307 (3.04475e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.527140024739854 (1.75218e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.527140024249721 (8.86776e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.527140024034413 (3.89546e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.527140023982144 (9.45684e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.527140023969886 (2.21774e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.527140023966949 (5.31415e-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: 0.12155771255493164 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858705412 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.517653440237418 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145977623 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.51513611012729 (0.0137437% change) linmin: converged after 4 iterations. iteration 5: trace = 5.514757022135009 (0.00687383% change) linmin: converged after 23 iterations. iteration 6: trace = 5.514652113037959 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232260506 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888307173 (0.000223841% change) linmin: converged after 4 iterations. iteration 9: trace = 5.514584139299347 (0.000104251% change) linmin: converged after 6 iterations. iteration 10: trace = 5.514582298956559 (3.33723e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.514581753925779 (9.88345e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 5.514581551297033 (3.67442e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.514581501626847 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384371 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12646e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.514581486953493 (1.90838e-08% change) linmin: converged after 21 iterations. iteration 17: trace = 5.514581486665215 (5.22757e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.514581486577285 (1.59449e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.514581486551825 (4.61678e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.514581486536882 (2.70983e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.514581486529241 (1.3856e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.514581486526163 (5.58073e-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: 0.2442164421081543 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883832 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342162 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143158 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981807 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131324 (0.00308906% change) linmin: converged after 3 iterations. iteration 6: trace = 5.508683639257636 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.508654122067278 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.508646692888523 (0.000134864% change) linmin: converged after 4 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.508642644310975 (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 = 5.508642237881134 (4.43715e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.508642233589998 (7.78983e-08% change) linmin: converged after 11 iterations. iteration 15: trace = 5.508642232550773 (1.88654e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232836 (5.77162e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37486e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.508642232135504 (3.9204e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.508642232131618 (7.05397e-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: 0.10303163528442383 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.550581183131676 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881717 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342744 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670694 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830657 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395586 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672793 (0.00159165% change) linmin: converged after 4 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 3 iterations. iteration 9: trace = 5.538951634380073 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.538948192460801 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307388 (6.44804e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.538947686577491 (2.68517e-06% change) linmin: converged after 6 iterations. iteration 14: trace = 5.538947636561998 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030208 (3.34572e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.538947613905389 (7.44694e-08% change) linmin: converged after 20 iterations. iteration 17: trace = 5.538947613187708 (1.2957e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 5.538947612989036 (3.58682e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.538947612948646 (7.29198e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.538947612937281 (2.05186e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538947612933677 (6.50706e-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: 0.11356401443481445 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.64730120064536 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549635881 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479469387 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868756195 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321497819 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264496 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368275 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755417 (0.000551003% change) linmin: converged after 3 iterations. iteration 9: trace = 5.636896042414144 (0.000160804% change) linmin: converged after 6 iterations. iteration 10: trace = 5.636893338294108 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.636892881857396 (8.09731e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.63689275976845 (2.16589e-06% change) linmin: converged after 26 iterations. iteration 13: trace = 5.636892722735102 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.63689271221097 (1.86701e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.636892708239743 (7.04506e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.636892706830094 (2.50076e-08% change) linmin: converged after 12 iterations. iteration 17: trace = 5.63689270617963 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778894 (7.10916e-09% change) linmin: converged after 29 iterations. iteration 19: trace = 5.636892705608988 (3.01419e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.636892705551572 (1.01856e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.636892705530977 (3.65362e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.636892705526576 (7.80736e-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: 0.11719870567321777 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972294732 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946635688 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.809596955593107 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036812913 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684315114 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.80778035258021 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899206 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546555 (0.00163202% change) linmin: converged after 5 iterations. iteration 9: trace = 5.80746323077131 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624392 (0.000251851% change) linmin: converged after 3 iterations. iteration 11: trace = 5.807443106317664 (9.46768e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.807439494876526 (6.21864e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.807437481552963 (3.4668e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.807436670284312 (1.39695e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.807436289960381 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.80743616289238 (2.18802e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.807436126334483 (6.29501e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.807436116187896 (1.74717e-07% change) linmin: converged after 10 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.80743611241677 (1.4992e-08% change) linmin: converged after 17 iterations. iteration 21: trace = 5.807436112088623 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990086 (1.69674e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.807436111928489 (1.06066e-09% change) linmin: converged after 18 iterations. iteration 24: trace = 5.807436111892697 (6.1631e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.807436111861507 (5.37073e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844981 (2.84557e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 5.807436111839944 (8.67312e-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: 0.14248418807983398 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.05856881640672 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444835 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.042869353634743 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071314 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957605 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541452 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732379 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498143 (0.00324293% change) linmin: converged after 4 iterations. iteration 9: trace = 6.039366429150504 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543028 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154689 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291318 (0.000392816% change) linmin: converged after 5 iterations. iteration 13: trace = 6.039155082215236 (0.000194101% change) linmin: converged after 3 iterations. iteration 14: trace = 6.039151356031255 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355144 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361494 (9.95163e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.039148998716707 (4.8458e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 6.039148806998385 (1.05701e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 6.039148770819254 (5.99077e-07% change) linmin: converged after 11 iterations. iteration 21: trace = 6.039148755038288 (2.61311e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.039148750226877 (7.96703e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 6.039148748437315 (2.96327e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.03914874773508 (1.1628e-08% change) linmin: converged after 8 iterations. iteration 25: trace = 6.039148747103899 (1.04515e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 6.039148746498701 (1.00212e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995301 (8.33561e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 6.039148745700738 (4.87755e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 6.039148745569348 (2.17564e-09% change) linmin: converged after 12 iterations. iteration 30: trace = 6.039148745510186 (9.79649e-10% change) linmin: converged after 13 iterations. iteration 31: trace = 6.039148745490023 (3.33879e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 6.03914874548126 (1.45099e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.039148745478514 (4.54594e-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: 0.17337393760681152 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915287088 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546875184 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898354 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635416893 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511705 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175370176 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982920404 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.20580463784571 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505965283 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423404 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953116241 (0.000392759% change) linmin: converged after 5 iterations. iteration 12: trace = 6.20538969590155 (0.000229755% change) linmin: converged after 5 iterations. iteration 13: trace = 6.205378818817675 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022887875 (0.000157862% change) linmin: converged after 5 iterations. iteration 15: trace = 6.205362148408727 (0.000110783% change) linmin: converged after 6 iterations. iteration 16: trace = 6.205354260896172 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521571523 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171597 (6.66264e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 6.205340291030132 (4.98948e-05% change) linmin: converged after 8 iterations. iteration 20: trace = 6.205338895534974 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.20533834882404 (8.81033e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035121001 (5.05537e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843117646 (3.09416e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736264187 (1.72196e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681835138 (8.77133e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438832 (3.77035e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.205337650174846 (1.33175e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379799 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.205337647812943 (9.13497e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526134 (4.62197e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 6.205337647305309 (3.55863e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.205337647187879 (1.89241e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 6.205337647139037 (7.87094e-10% change) linmin: converged after 2 iterations. iteration 34: trace = 6.205337647127353 (1.88289e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122204 (8.29732e-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: 0.13628602027893066 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.491235811867578 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280758 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714031 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559041 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039022 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.8651948144415262 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594285 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.865230799493687 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334230910419813 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.02136766910937 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374242 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255332 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714031) to band 3 (0.5631505198559041), 0.007916844195689235% Gap from band 4 (0.8214230044191522) to band 5 (0.8651948144415262), 5.190483526605004% total elapsed time for run: 2.3181722164154053 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), (-3.21911e-16, -1.85856e-16, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepWcFBDI/test_tri_rods-0: 5.16s /tmp/meepWcFBDI/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: 0.0025441646575927734 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 = 13.46696798403984 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549283 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222894 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441991 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792539 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692736 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908762 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.57898729516393 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448072 (0.0145112% change) linmin: converged after 5 iterations. iteration 10: trace = 4.57800394246301 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765468 (0.00162274% change) linmin: converged after 9 iterations. iteration 12: trace = 4.577907037545215 (0.000494028% change) linmin: converged after 8 iterations. iteration 13: trace = 4.577897255801732 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336268 (4.739e-05% change) linmin: converged after 8 iterations. iteration 15: trace = 4.577894696365669 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894636935435 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221524 (1.68503e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 4.577894627568729 (3.61038e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 4.57789462693918 (1.37519e-08% change) linmin: converged after 18 iterations. iteration 20: trace = 4.577894626693615 (5.36415e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 4.577894626612567 (1.77042e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 4.577894626584479 (6.13552e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 4.577894626574832 (2.10739e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.10354924201965332 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720699 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.553362423580821 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889154 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259337 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078166 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887483 (0.000982783% change) linmin: converged after 7 iterations. iteration 7: trace = 4.546668812199727 (0.0001536% change) linmin: converged after 7 iterations. iteration 8: trace = 4.546667474444717 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982201 (8.36794e-06% change) linmin: converged after 7 iterations. iteration 10: trace = 4.546667026314636 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167325 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947757 (9.28057e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.546667004173661 (3.90197e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.546667003528524 (1.41892e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.546667003425867 (2.25786e-09% change) linmin: converged after 8 iterations. iteration 16: trace = 4.546667003411081 (3.25214e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.546667003406387 (1.03241e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.10063910484313965 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501468168 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577210606 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622002 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935342 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102503 (0.00439222% change) linmin: converged after 5 iterations. iteration 6: trace = 4.456776714934253 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362194 (9.95243e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.456771848143084 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.456771805503853 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.45677179920128 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345363 (4.16426e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.456771796664024 (1.52877e-08% change) linmin: converged after 11 iterations. iteration 13: trace = 4.456771796571513 (2.07574e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.45677179656453 (1.567e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.08223342895507812 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410677 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668844 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944971 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 18 iterations. iteration 5: trace = 4.364572744594438 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346532 (0.000152071% change) linmin: converged after 3 iterations. iteration 7: trace = 4.364565316740356 (1.81142e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.364565239126186 (1.77828e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.364565234500089 (1.05992e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.364565233724123 (1.77788e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.364565233381509 (7.8499e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.364565233306725 (1.71345e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299629 (1.62574e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.07584762573242188 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604918 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984221 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865025 (0.0151441% change) linmin: converged after 4 iterations. iteration 4: trace = 4.304101774804955 (0.00300988% change) linmin: converged after 8 iterations. iteration 5: trace = 4.304072509722037 (0.000679937% change) linmin: converged after 4 iterations. iteration 6: trace = 4.304070117659416 (5.55767e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.304069984297113 (3.09852e-06% change) linmin: converged after 6 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945508 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779026 (2.71018e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479557 (6.95781e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.304069964440698 (9.02836e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.0705559253692627 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238573 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.284124961328345 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492495 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118701 (0.00216674% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283478596024278 (0.000553453% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283477154458745 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817818 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770441 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633836 (3.18912e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.283477065618206 (3.64874e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.0708014965057373 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825646 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831401 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994837 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 4 iterations. iteration 5: trace = 4.264488730548921 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097828 (0.000287994% change) linmin: converged after 4 iterations. iteration 7: trace = 4.264474782181727 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738404 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967131 (2.52581e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.26447463125734 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203497 (1.26258e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199774 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.06511259078979492 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565436 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374738 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.22865588220403 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100099 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.22859715634384 (0.000184713% change) linmin: converged after 4 iterations. iteration 6: trace = 4.228595847507818 (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 = 4.228595653669721 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.22859565236188 (3.09285e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271402 (2.13967e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.228595652264815 (1.55766e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.228595652264469 (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: 0.06534576416015625 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849337 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159212 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731933 (0.00284883% change) linmin: converged after 4 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 2 iterations. iteration 5: trace = 4.196577861660906 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465238 (8.86333e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 4.196577821831921 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279781 (1.31569e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.196577821233549 (1.10165e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.196577821229713 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.055045366287231445 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862598 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.17565818867784 (0.00176593% change) linmin: converged after 5 iterations. iteration 4: trace = 4.175652343488817 (0.000139983% change) linmin: converged after 4 iterations. iteration 5: trace = 4.1756518236398 (1.24495e-05% change) linmin: converged after 22 iterations. iteration 6: trace = 4.175651765087072 (1.40224e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 4.175651761832765 (7.79353e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361387 (1.12887e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335724 (6.14587e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 4.175651761333514 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.055121660232543945 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974871 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847986 (0.0167552% change) linmin: converged after 4 iterations. iteration 3: trace = 4.168418925223789 (0.00180428% change) linmin: converged after 6 iterations. iteration 4: trace = 4.168412151727343 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528163 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634321 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651689 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612858 (9.31536e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.05168271064758301 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.20121840786123 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957316 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842542 (0.00871093% change) linmin: converged after 4 iterations. iteration 4: trace = 4.197857649510746 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378014 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525585 (8.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.19785405238029 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.197854050415343 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317017 (2.34231e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309863 (1.70406e-10% change) linmin: converged after 4 iterations. iteration 11: trace = 4.197854050309302 (1.33718e-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: 0.06049060821533203 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 = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299241 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838012 (0.00210466% change) linmin: converged after 4 iterations. iteration 5: trace = 4.28326782469361 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834249 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102654 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093191 (2.35676e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283266489000649 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991162 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.06554722785949707 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060168 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164765 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426062 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 4 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 6 iterations. iteration 6: trace = 4.410103889016641 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711945 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698954 (2.90272e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.410102277309537 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815388 (5.65554e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.41010227456198 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546352 (3.54377e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.410102274545241 (2.51947e-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: 0.07385993003845215 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.56332893210157 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258574 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323368 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.53526091331992 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553315 (0.0146622% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244497 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.53451783134748 (1.82245e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.534517685393302 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423049 (9.0352e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208927 (3.79624e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618747 (7.91745e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.534517622906274 (1.57122e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.534517622781566 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760767 (4.5869e-10% change) linmin: converged after 5 iterations. iteration 17: trace = 4.534517622757202 (7.86028e-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: 0.0924539566040039 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082300534 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477336647 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993236302 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771380164 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393190039 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102126 (0.000900408% change) linmin: converged after 4 iterations. iteration 7: trace = 4.577900193795449 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955978 (9.76177e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.577894647524325 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981876 (3.39511e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.577894627560069 (9.65904e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684434 (1.91275e-08% change) linmin: converged after 12 iterations. iteration 14: trace = 4.577894626586346 (2.14264e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 4.577894626572489 (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 .. ====================================================================== 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: 0.6768982311383901 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: 1.4651880980148324 != 1.469257717113039 within 3 places (0.004069619098206578 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 != -0.9950905165813236 within 3 places (0.0005497676846621946 difference) ---------------------------------------------------------------------- Ran 47 tests in 345.794s FAILED (failures=4) elapsed time for k point: 0.06440520286560059 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: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797748 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.593296087358515 at Vector3<0.0, 0.0, 0.0> to 0.79071959744437 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327578 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537574 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443271 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903449 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739198 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664854 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156912 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623629) to band 2 (0.44533108084715833), 47.39883483854658% Gap from band 3 (0.5605607947797748) to band 4 (0.593296087358515), 5.674064623695137% Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443271), 0.01716204727255483% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% total elapsed time for run: 1.1564381122589111 done /tmp/meepWcFBDI/test_triangular_lattice-0: 1.16s /tmp/meepWcFBDI/test_update_band_range_data-0 ======================== /tmp/meepWcFBDI/test_update_band_range_data-0: 0.00s Elapsed run time = 345.8169 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-fel7zrxd because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.69633e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 9.9111e-05 s multilevel atom susceptibility ----------- Meep progress: 2322.8625/7000.0 = 33.2% done in 4.0s, 8.1s to go on time step 185829 (time=2322.86), 2.15254e-05 s/step Meep progress: 4607.775000000001/7000.0 = 65.8% done in 8.0s, 4.2s to go on time step 368625 (time=4607.81), 2.18824e-05 s/step Meep progress: 6913.125/7000.0 = 98.8% done in 12.0s, 0.2s to go on time step 553054 (time=6913.18), 2.16886e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4452, in run self._run_until(until, step_funcs) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 2643, in _run_until _eval_step_func(self, func, "finish") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4918, in _eval_step_func func(sim, todo) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4999, in _end _eval_step_func(sim, func, "step") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4916, in _eval_step_func func(sim) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) AssertionError: 4.458595015523278 != -2.7110969214986387 within 7 places (7.169691937021916 difference) ---------------------------------------------------------------------- Ran 1 test in 12.158s FAILED (failures=1) Elapsed run time = 12.1594 s FAIL tests/test_multilevel_atom.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_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-3s58sd0u because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000166961 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.0617641 s ----------- Meep: using output directory '/tmp/meepJ2O8CQ' creating output file "/tmp/meepJ2O8CQ/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_ring.py", line 61, in test_harminv self.assertAlmostEqual(abs(m1.amp), 0.00341267634436, places=4) AssertionError: 0.0034940920329178107 != 0.00341267634436 within 4 places (8.141568855781064e-05 difference) ---------------------------------------------------------------------- Ran 1 test in 1.415s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11807141746814533, -0.0007561092441158856, 78.07827928767462, 0.0034940920329178107, -0.0031657026434659826-0.0014788529026418444i, 2.0593585946188962e-07+0.0i harminv0:, 0.14716938352947445, -0.0002116407992612746, 347.68670323294106, 0.02806103035688786, 0.018756602154761128+0.02087130327263231i, 7.419809398467476e-08+0.0i harminv0:, 0.1752466531330348, -4.875157487167941e-05, 1797.3435073052221, 0.007186041459138177, -0.0008190310310293238-0.007139214244065223i, 1.4536448405586033e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 1.4169 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/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/i386-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-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/i386-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-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/i386-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/i386-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libmeep.a libtool: install: i686-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/i386-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/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/i386-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/i386-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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/i386-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-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/i386-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/i386-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libpympb.a libtool: install: i686-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/i386-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/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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: i686-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/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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: i686-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/i386-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-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 PyModule_GetDict: 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 _ZN9meep_geom14vector3_to_vecE7vector3: 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' in '../meep_1.25.0-4_i386.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_i386.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_i386.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_i386.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_i386.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_i386.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_i386.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_i386.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_i386.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/6922 and its subdirectories I: Current time: Fri Nov 28 08:12:15 -12 2025 I: pbuilder-time-stamp: 1764360735